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organic compounds
In the title compound, C30H45Cl3FN3O2S, the piperazine ring is in a chair conformation. The alkyl substituent has a fully extended conformation.
Supporting information
 | Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806005769/sg6063sup1.cif |
 | Structure factor file (CIF format) https://doi.org/10.1107/S1600536806005769/sg6063Isup2.hkl |
CCDC reference: 601249
Key indicators
- Single-crystal X-ray study
- T = 294 K
- Mean
![[sigma]](//journals.iucr.org/logos/entities/sigma_rmgif.gif)
(C-C) = 0.003 Å - R factor = 0.057
- wR factor = 0.069
- Data-to-parameter ratio = 22.8
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif){kind=small}
(C-C) = 0.003 ÅcheckCIF/PLATON results
No syntax errors found
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.97 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.38 Ratio PLAT431_ALERT_2_C Short Inter HL..A Contact Cl1 .. O1 .. 2.99 Ang. PLAT752_ALERT_4_C Angle Calc 110.00, Rep 110.0(2) ...... Senseless su H(1) -C5 -N2 1.555 1.555 1.555 PLAT752_ALERT_4_C Angle Calc 109.00, Rep 108.9(2) ...... Senseless su H(1) -C5 -C6 1.555 1.555 1.555 PLAT752_ALERT_4_C Angle Calc 109.00, Rep 108.7(2) ...... Senseless su H(2) -C5 -N2 1.555 1.555 1.555 PLAT752_ALERT_4_C Angle Calc 110.00, Rep 110.0(2) ...... Senseless su H(2) -C5 -C6 1.555 1.555 1.555 PLAT752_ALERT_4_C Angle Calc 108.00, Rep 108.1(2) ...... Senseless su H(5) -C7 -N3 1.555 1.555 1.555 PLAT752_ALERT_4_C Angle Calc 111.00, Rep 110.6(2) ...... Senseless su H(6) -C7 -N3 1.555 1.555 1.555 PLAT752_ALERT_4_C Angle Calc 109.00, Rep 108.70(10) ...... Senseless su H(7) -C8 -N2 1.555 1.555 1.555 PLAT752_ALERT_4_C Angle Calc 109.00, Rep 108.7(2) ...... Senseless su H(7) -C8 -C7 1.555 1.555 1.555 PLAT752_ALERT_4_C Angle Calc 109.00, Rep 108.9(2) ...... Senseless su H(8) -C8 -N2 1.555 1.555 1.555 PLAT752_ALERT_4_C Angle Calc 110.00, Rep 109.8(2) ...... Senseless su H(8) -C8 -C7 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -55.00, Rep -55.2(2) ...... Senseless su C4 -S1 -C15 -H(13 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 66.00, Rep 65.8(2) ...... Senseless su C4 -S1 -C15 -H(14 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -106.00, Rep -105.6(2) ...... Senseless su C4 -N2 -C5 -H(1) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 14.00, Rep 14.2(3) ...... Senseless su C4 -N2 -C5 -H(2) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 67.00, Rep 66.8(2) ...... Senseless su C8 -N2 -C5 -H(1) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -173.00, Rep -173.4(2) ...... Senseless su C8 -N2 -C5 -H(2) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -14.00, Rep -13.6(3) ...... Senseless su C4 -N2 -C8 -H(7) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 106.00, Rep 105.5(2) ...... Senseless su C4 -N2 -C8 -H(8) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 174.00, Rep 174.2(2) ...... Senseless su C5 -N2 -C8 -H(7) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -67.00, Rep -66.6(2) ...... Senseless su C5 -N2 -C8 -H(8) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 59.00, Rep 58.7(2) ...... Senseless su H(3)-C6 -N3 -C7 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -72.00, Rep -72.2(2) ...... Senseless su H(3)-C6 -N3 -C9 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 178.00, Rep 178.3(2) ...... Senseless su H(4)-C6 -N3 -C7 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 47.00, Rep 47.5(2) ...... Senseless su H(4)-C6 -N3 -C9 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -64.00, Rep -64.3(2) ...... Senseless su N3 -C6 -C5 -H(1) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 176.00, Rep 175.7(2) ...... Senseless su N3 -C6 -C5 -H(2) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -64.00, Rep -63.7(2) ...... Senseless su H(3)-C6 -C5 -N2 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 176.00, Rep 175.9(2) ...... Senseless su H(3)-C6 -C5 -H(1) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 56.00, Rep 55.9(2) ...... Senseless su H(3)-C6 -C5 -H(2) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 177.00, Rep 176.7(2) ...... Senseless su H(4)-C6 -C5 -N2 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 56.00, Rep 56.3(2) ...... Senseless su H(4)-C6 -C5 -H(1) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -64.00, Rep -63.7(2) ...... Senseless su H(4)-C6 -C5 -H(2) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -61.00, Rep -60.6(2) ...... Senseless su C6 -N3 -C7 -H(6) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -51.00, Rep -50.5(2) ...... Senseless su C9 -N3 -C7 -H(5) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 69.00, Rep 69.3(2) ...... Senseless su C9 -N3 -C7 -H(6) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -177.00, Rep -177.3(2) ...... Senseless su N3 -C7 -C8 -H(7) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 63.00, Rep 62.9(2) ...... Senseless su N3 -C7 -C8 -H(8) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -176.00, Rep -175.7(2) ...... Senseless su H(5)-C7 -C8 -N2 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 65.00, Rep 64.7(2) ...... Senseless su H(5)-C7 -C8 -H(7) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -55.00, Rep -55.0(2) ...... Senseless su H(5)-C7 -C8 -H(8) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 64.00, Rep 64.0(2) ...... Senseless su H(6)-C7 -C8 -N2 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -56.00, Rep -55.7(2) ...... Senseless su H(6)-C7 -C8 -H(7) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -175.00, Rep -175.4(2) ...... Senseless su H(6)-C7 -C8 -H(8) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -3.00, Rep -3.2(4) ...... Senseless su N3 -C9 -C14 -H(12 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 179.00, Rep 178.8(3) ...... Senseless su C10 -C9 -C14 -H(12 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -60.00, Rep -60.1(3) ...... Senseless su C15 -C16 -C17 -H(17 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 59.00, Rep 59.2(3) ...... Senseless su C15 -C16 -C17 -H(18 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -62.00, Rep -62.2(3) ...... Senseless su H(15-C16 -C17 -C18 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 59.00, Rep 59.4(3) ...... Senseless su H(15-C16 -C17 -H(17 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 179.00, Rep 178.7(2) ...... Senseless su H(15-C16 -C17 -H(18 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 57.00, Rep 56.6(3) ...... Senseless su H(16-C16 -C17 -C18 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 178.00, Rep 178.3(3) ...... Senseless su H(16-C16 -C17 -H(17 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -62.00, Rep -62.5(3) ...... Senseless su H(16-C16 -C17 -H(18 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 73.00, Rep 72.6(3) ...... Senseless su C17 -C16 -C15 -H(13 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -48.00, Rep -48.2(3) ...... Senseless su C17 -C16 -C15 -H(14 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 74.00, Rep 73.6(2) ...... Senseless su H(15-C16 -C15 -S1 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -47.00, Rep -47.0(4) ...... Senseless su H(15-C16 -C15 -H(13 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -168.00, Rep -167.9(2) ...... Senseless su H(15-C16 -C15 -H(14 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -45.00, Rep -44.9(4) ...... Senseless su H(16-C16 -C15 -S1 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -165.00, Rep -165.4(4) ...... Senseless su H(16-C16 -C15 -H(13 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 74.00, Rep 73.7(4) ...... Senseless su H(16-C16 -C15 -H(14 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -59.00, Rep -59.3(4) ...... Senseless su C17 -C18 -C19 -H(21 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 59.00, Rep 59.1(3) ...... Senseless su C17 -C18 -C19 -H(22 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -62.00, Rep -61.6(3) ...... Senseless su H(19-C18 -C19 -C20 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 60.00, Rep 60.5(3) ...... Senseless su H(19-C18 -C19 -H(21 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 179.00, Rep 178.9(3) ...... Senseless su H(19-C18 -C19 -H(22 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 57.00, Rep 57.2(4) ...... Senseless su H(20-C18 -C19 -C20 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 179.00, Rep 179.3(3) ...... Senseless su H(20-C18 -C19 -H(21 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -62.00, Rep -62.3(3) ...... Senseless su H(20-C18 -C19 -H(22 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 62.00, Rep 61.6(4) ...... Senseless su C19 -C18 -C17 -H(17 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -57.00, Rep -56.9(3) ...... Senseless su C19 -C18 -C17 -H(18 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 64.00, Rep 63.5(3) ...... Senseless su H(19-C18 -C17 -C16 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -59.00, Rep -58.6(4) ...... Senseless su H(19-C18 -C17 -H(17 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -177.00, Rep -177.0(3) ...... Senseless su H(19-C18 -C17 -H(18 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -55.00, Rep -55.0(4) ...... Senseless su H(20-C18 -C17 -C16 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -177.00, Rep -177.1(4) ...... Senseless su H(20-C18 -C17 -H(17 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 64.00, Rep 64.4(4) ...... Senseless su H(20-C18 -C17 -H(18 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -179.00, Rep -178.7(3) ...... Senseless su C9 -C14 -C13 -H(11 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -178.00, Rep -177.5(3) ...... Senseless su H(12-C14 -C13 -C12 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 4.00, Rep 4.0(5) ...... Senseless su H(12-C14 -C13 -H(11 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -58.00, Rep -58.1(4) ...... Senseless su C18 -C19 -C20 -H(23 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 61.00, Rep 60.6(3) ...... Senseless su C18 -C19 -C20 -H(24 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 58.00, Rep 58.1(4) ...... Senseless su H(21-C19 -C20 -C21 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -61.00, Rep -60.9(4) ...... Senseless su H(21-C19 -C20 -H(24 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -61.00, Rep -60.6(3) ...... Senseless su H(22-C19 -C20 -C21 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 62.00, Rep 61.6(4) ...... Senseless su H(22-C19 -C20 -H(23 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -1.00, Rep -0.7(6) ...... Senseless su F1 -C10 -C11 -H(9) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 179.00, Rep 179.4(4) ...... Senseless su C9 -C10 -C11 -H(9) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -62.00, Rep -61.8(3) ...... Senseless su C26 -C25 -C24 -H(31 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 57.00, Rep 56.5(4) ...... Senseless su C26 -C25 -C24 -H(32 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -56.00, Rep -55.7(4) ...... Senseless su H(33-C25 -C24 -C23 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 62.00, Rep 62.5(4) ...... Senseless su H(33-C25 -C24 -H(31 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -179.00, Rep -179.2(4) ...... Senseless su H(33-C25 -C24 -H(32 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 63.00, Rep 62.6(3) ...... Senseless su H(34-C25 -C24 -C23 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -179.00, Rep -179.2(3) ...... Senseless su H(34-C25 -C24 -H(31 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -61.00, Rep -60.9(4) ...... Senseless su H(34-C25 -C24 -H(32 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -55.00, Rep -55.5(5) ...... Senseless su C24 -C25 -C26 -H(35 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 63.00, Rep 63.3(4) ...... Senseless su C24 -C25 -C26 -H(36 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 57.00, Rep 56.8(5) ...... Senseless su H(33-C25 -C26 -C27 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -61.00, Rep -60.8(5) ...... Senseless su H(33-C25 -C26 -H(36 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -62.00, Rep -61.7(4) ...... Senseless su H(34-C25 -C26 -C27 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 62.00, Rep 61.9(5) ...... Senseless su H(34-C25 -C26 -H(35 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -179.00, Rep -179.3(3) ...... Senseless su H(34-C25 -C26 -H(36 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 58.00, Rep 57.6(4) ...... Senseless su C22 -C21 -C20 -H(23 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -61.00, Rep -60.9(3) ...... Senseless su C22 -C21 -C20 -H(24 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -60.00, Rep -59.6(4) ...... Senseless su H(25-C21 -C20 -C19 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 178.00, Rep 177.9(3) ...... Senseless su H(25-C21 -C20 -H(23 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 59.00, Rep 59.5(4) ...... Senseless su H(25-C21 -C20 -H(24 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 59.00, Rep 58.9(3) ...... Senseless su H(26-C21 -C20 -C19 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -64.00, Rep -63.5(4) ...... Senseless su H(26-C21 -C20 -H(23 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 178.00, Rep 178.0(3) ...... Senseless su H(26-C21 -C20 -H(24 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -60.00, Rep -60.3(4) ...... Senseless su C20 -C21 -C22 -H(27 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 58.00, Rep 58.2(3) ...... Senseless su C20 -C21 -C22 -H(28 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 59.00, Rep 58.8(4) ...... Senseless su H(25-C21 -C22 -C23 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 178.00, Rep 178.3(4) ...... Senseless su H(25-C21 -C22 -H(27 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -63.00, Rep -63.1(4) ...... Senseless su H(25-C21 -C22 -H(28 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -59.00, Rep -59.5(3) ...... Senseless su H(26-C21 -C22 -C23 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 60.00, Rep 60.1(4) ...... Senseless su H(26-C21 -C22 -H(27 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 179.00, Rep 178.6(3) ...... Senseless su H(26-C21 -C22 -H(28 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 178.00, Rep 177.6(3) ...... Senseless su C11 -C12 -C13 -H(11 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 177.00, Rep 177.4(3) ...... Senseless su H(10-C12 -C13 -C14 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -4.00, Rep -4.2(6) ...... Senseless su H(10-C12 -C13 -H(11 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -178.00, Rep -178.0(4) ...... Senseless su C13 -C12 -C11 -H(9) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -178.00, Rep -177.7(4) ...... Senseless su H(10-C12 -C11 -C10 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 4.00, Rep 3.8(6) ...... Senseless su H(10-C12 -C11 -H(9) 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -60.00, Rep -59.6(3) ...... Senseless su C25 -C24 -C23 -H(29 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 59.00, Rep 59.1(5) ...... Senseless su C25 -C24 -C23 -H(30 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 62.00, Rep 62.1(3) ...... Senseless su H(31-C24 -C23 -C22 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -177.00, Rep -177.4(3) ...... Senseless su H(31-C24 -C23 -H(29 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -59.00, Rep -58.7(5) ...... Senseless su H(31-C24 -C23 -H(30 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -57.00, Rep -56.6(5) ...... Senseless su H(32-C24 -C23 -C22 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 64.00, Rep 63.9(5) ...... Senseless su H(32-C24 -C23 -H(29 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -177.00, Rep -177.3(5) ...... Senseless su H(32-C24 -C23 -H(30 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 60.00, Rep 60.4(3) ...... Senseless su C21 -C22 -C23 -H(29 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -58.00, Rep -58.1(4) ...... Senseless su C21 -C22 -C23 -H(30 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 61.00, Rep 60.6(4) ...... Senseless su H(27-C22 -C23 -C24 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -59.00, Rep -59.0(4) ...... Senseless su H(27-C22 -C23 -H(29 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -178.00, Rep -177.6(3) ...... Senseless su H(27-C22 -C23 -H(30 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -58.00, Rep -58.0(3) ...... Senseless su H(28-C22 -C23 -C24 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -178.00, Rep -177.6(3) ...... Senseless su H(28-C22 -C23 -H(29 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 64.00, Rep 63.9(4) ...... Senseless su H(28-C22 -C23 -H(30 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -56.00, Rep -56.1(4) ...... Senseless su C25 -C26 -C27 -H(37 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 62.00, Rep 62.0(4) ...... Senseless su C25 -C26 -C27 -H(38 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 57.00, Rep 57.1(4) ...... Senseless su H(35-C26 -C27 -C28 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -62.00, Rep -62.0(4) ...... Senseless su H(35-C26 -C27 -H(38 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -61.00, Rep -61.4(4) ...... Senseless su H(36-C26 -C27 -C28 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 61.00, Rep 61.4(4) ...... Senseless su H(36-C26 -C27 -H(37 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 179.00, Rep 179.5(3) ...... Senseless su H(36-C26 -C27 -H(38 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -57.00, Rep -57.5(5) ...... Senseless su C26 -C27 -C28 -H(39 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 61.00, Rep 61.3(4) ...... Senseless su C26 -C27 -C28 -H(40 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 57.00, Rep 57.3(5) ...... Senseless su H(37-C27 -C28 -C29 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 179.00, Rep 179.3(5) ...... Senseless su H(37-C27 -C28 -H(39 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -62.00, Rep -61.9(5) ...... Senseless su H(37-C27 -C28 -H(40 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -61.00, Rep -60.8(4) ...... Senseless su H(38-C27 -C28 -C29 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 61.00, Rep 61.2(5) ...... Senseless su H(38-C27 -C28 -H(39 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -59.00, Rep -59.4(5) ...... Senseless su C27 -C28 -C29 -H(41 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 58.00, Rep 58.4(4) ...... Senseless su C27 -C28 -C29 -H(42 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 59.00, Rep 59.3(5) ...... Senseless su H(39-C28 -C29 -C30 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 179.00, Rep 178.6(5) ...... Senseless su H(39-C28 -C29 -H(41 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -64.00, Rep -63.6(5) ...... Senseless su H(39-C28 -C29 -H(42 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -59.00, Rep -59.4(4) ...... Senseless su H(40-C28 -C29 -C30 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 60.00, Rep 59.8(5) ...... Senseless su H(40-C28 -C29 -H(41 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 178.00, Rep 177.7(4) ...... Senseless su H(40-C28 -C29 -H(42 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 59.00, Rep 59.0(5) ...... Senseless su C28 -C29 -C30 -H(43 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -61.00, Rep -60.8(7) ...... Senseless su C28 -C29 -C30 -H(45 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -61.00, Rep -61.2(7) ...... Senseless su H(41-C29 -C30 -H(43 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 60.00, Rep 60.0(7) ...... Senseless su H(41-C29 -C30 -H(44 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 179.00, Rep 178.9(7) ...... Senseless su H(41-C29 -C30 -H(45 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc -59.00, Rep -58.8(6) ...... Senseless su H(42-C29 -C30 -H(44 1.555 1.555 1.555 1.555 PLAT753_ALERT_4_C Torsion Calc 60.00, Rep 60.1(7) ...... Senseless su H(42-C29 -C30 -H(45 1.555 1.555 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.19000, Rep 3.194(2) ...... Senseless su CL1 -H(2) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.58000, Rep 3.5760(10) ...... Senseless su CL1 -H(3) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.82000, Rep 2.817(2) ...... Senseless su CL1 -H(8) 1.555 1.545 PLAT754_ALERT_4_C Contact Calc 3.55000, Rep 3.554(3) ...... Senseless su CL1 -H(11) 1.555 1.645 PLAT754_ALERT_4_C Contact Calc 3.32000, Rep 3.322(2) ...... Senseless su CL1 -H(12) 1.555 1.645 PLAT754_ALERT_4_C Contact Calc 3.21000, Rep 3.209(2) ...... Senseless su CL1 -H(14) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.66000, Rep 2.6560(10) ...... Senseless su S1 -H(7) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.34000, Rep 2.341(2) ...... Senseless su S1 -H(13) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.33000, Rep 2.329(2) ...... Senseless su S1 -H(14) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.89000, Rep 2.889(2) ...... Senseless su S1 -H(15) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.66000, Rep 2.658(2) ...... Senseless su S1 -H(16) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.29000, Rep 3.291(2) ...... Senseless su S1 -H(17) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 3.53000, Rep 3.528(2) ...... Senseless su S1 -H(18) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 3.28000, Rep 3.283(2) ...... Senseless su S1 -H(21) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 3.58000, Rep 3.581(2) ...... Senseless su S1 -H(22) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 3.23000, Rep 3.235(2) ...... Senseless su CL3 -H(5) 1.555 1.645 PLAT754_ALERT_4_C Contact Calc 3.20000, Rep 3.2040(10) ...... Senseless su CL3 -H(7) 1.555 1.645 PLAT754_ALERT_4_C Contact Calc 3.42000, Rep 3.421(3) ...... Senseless su CL3 -H(14) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 3.15000, Rep 3.151(2) ...... Senseless su CL3 -H(18) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 3.44000, Rep 3.444(2) ...... Senseless su CL2 -H(5) 1.555 1.645 PLAT754_ALERT_4_C Contact Calc 3.21000, Rep 3.211(2) ...... Senseless su CL2 -H(6) 1.555 1.645 PLAT754_ALERT_4_C Contact Calc 3.40000, Rep 3.397(2) ...... Senseless su CL2 -H(7) 1.555 1.545 PLAT754_ALERT_4_C Contact Calc 3.13000, Rep 3.133(2) ...... Senseless su CL2 -H(8) 1.555 1.545 PLAT754_ALERT_4_C Contact Calc 3.39000, Rep 3.387(2) ...... Senseless su CL2 -H(12) 1.555 1.645 PLAT754_ALERT_4_C Contact Calc 3.17000, Rep 3.170(2) ...... Senseless su CL2 -H(13) 1.555 1.645 PLAT754_ALERT_4_C Contact Calc 2.86000, Rep 2.861(2) ...... Senseless su CL2 -H(17) 1.555 1.645 PLAT754_ALERT_4_C Contact Calc 3.01000, Rep 3.011(2) ...... Senseless su N1 -H(1) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.56000, Rep 2.560(2) ...... Senseless su N1 -H(2) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.46000, Rep 3.459(2) ...... Senseless su N1 -H(3) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 3.46000, Rep 3.461(3) ...... Senseless su N1 -H(14) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 2.45000, Rep 2.453(2) ...... Senseless su F1 -H(4) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.55000, Rep 2.552(3) ...... Senseless su F1 -H(9) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.22000, Rep 3.216(4) ...... Senseless su F1 -H(10) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 3.20000, Rep 3.196(3) ...... Senseless su F1 -H(11) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 2.48000, Rep 2.483(2) ...... Senseless su O2 -H(1) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.732(2) ...... Senseless su O2 -H(2) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.76000, Rep 2.758(2) ...... Senseless su O2 -H(3) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 2.57000, Rep 2.573(3) ...... Senseless su O2 -H(6) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 2.82000, Rep 2.821(3) ...... Senseless su O2 -H(12) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 3.47000, Rep 3.472(3) ...... Senseless su O2 -H(13) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 3.55000, Rep 3.550(2) ...... Senseless su O2 -H(14) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 3.33000, Rep 3.334(2) ...... Senseless su C3 -H(1) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.56000, Rep 2.559(2) ...... Senseless su C3 -H(2) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.27000, Rep 3.271(2) ...... Senseless su O1 -H(2) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.38000, Rep 3.380(2) ...... Senseless su O1 -H(3) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 2.64000, Rep 2.639(2) ...... Senseless su O1 -H(5) 1.555 1.645 PLAT754_ALERT_4_C Contact Calc 3.55000, Rep 3.551(2) ...... Senseless su O1 -H(8) 1.555 1.645 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 2.005(2) ...... Senseless su N2 -H(1) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 1.99000, Rep 1.990(2) ...... Senseless su N2 -H(2) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.65000, Rep 2.653(2) ...... Senseless su N2 -H(3) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.26000, Rep 3.262(2) ...... Senseless su N2 -H(4) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.27000, Rep 3.271(2) ...... Senseless su N2 -H(5) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.69000, Rep 2.693(2) ...... Senseless su N2 -H(6) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 1.99000, Rep 1.989(2) ...... Senseless su N2 -H(7) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 1.99000, Rep 1.991(2) ...... Senseless su N2 -H(8) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.03000, Rep 3.033(2) ...... Senseless su N2 -H(13) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.53000, Rep 3.534(3) ...... Senseless su N2 -H(14) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.038(2) ...... Senseless su C6 -H(1) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.05000, Rep 2.051(2) ...... Senseless su C6 -H(2) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.20000, Rep 3.204(2) ...... Senseless su C6 -H(5) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.59000, Rep 2.592(2) ...... Senseless su C6 -H(6) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.19000, Rep 3.186(2) ...... Senseless su C6 -H(8) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.67000, Rep 2.671(2) ...... Senseless su N3 -H(1) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.27000, Rep 3.274(2) ...... Senseless su N3 -H(2) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 1.99000, Rep 1.990(2) ...... Senseless su N3 -H(3) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 1.995(2) ...... Senseless su N3 -H(4) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 1.97000, Rep 1.970(2) ...... Senseless su N3 -H(5) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 1.998(2) ...... Senseless su N3 -H(6) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.23000, Rep 3.232(2) ...... Senseless su N3 -H(7) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.63000, Rep 2.631(2) ...... Senseless su N3 -H(8) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.38000, Rep 3.383(3) ...... Senseless su N3 -H(11) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 2.67000, Rep 2.674(2) ...... Senseless su N3 -H(12) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.98000, Rep 2.981(2) ...... Senseless su C4 -H(1) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.51000, Rep 2.511(2) ...... Senseless su C4 -H(2) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.59000, Rep 3.591(2) ...... Senseless su C4 -H(3) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.55000, Rep 2.548(2) ...... Senseless su C4 -H(7) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.99000, Rep 2.990(2) ...... Senseless su C4 -H(8) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.03000, Rep 3.034(2) ...... Senseless su C4 -H(13) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.10000, Rep 3.098(3) ...... Senseless su C4 -H(14) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.039(2) ...... Senseless su C5 -H(3) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.043(2) ...... Senseless su C5 -H(4) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.20000, Rep 3.200(2) ...... Senseless su C5 -H(6) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.25000, Rep 3.246(2) ...... Senseless su C5 -H(7) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.67000, Rep 2.673(2) ...... Senseless su C5 -H(8) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.24000, Rep 3.237(2) ...... Senseless su C7 -H(1) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.56000, Rep 2.559(2) ...... Senseless su C7 -H(3) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.21000, Rep 3.211(2) ...... Senseless su C7 -H(4) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.030(2) ...... Senseless su C7 -H(7) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.043(3) ...... Senseless su C7 -H(8) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.55000, Rep 2.545(3) ...... Senseless su C7 -H(12) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.99000, Rep 2.989(2) ...... Senseless su C7 -H(13) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.70000, Rep 2.698(2) ...... Senseless su C9 -H(3) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.54000, Rep 2.539(2) ...... Senseless su C9 -H(4) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.56000, Rep 2.560(2) ...... Senseless su C9 -H(5) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.717(2) ...... Senseless su C9 -H(6) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.28000, Rep 3.280(3) ...... Senseless su C9 -H(9) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.28000, Rep 3.277(3) ...... Senseless su C9 -H(11) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.034(3) ...... Senseless su C9 -H(12) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.15000, Rep 3.150(2) ...... Senseless su C1 -H(5) 1.555 1.645 PLAT754_ALERT_4_C Contact Calc 3.50000, Rep 3.505(3) ...... Senseless su C1 -H(8) 1.555 1.545 PLAT754_ALERT_4_C Contact Calc 3.27000, Rep 3.266(3) ...... Senseless su C1 -H(12) 1.555 1.645 PLAT754_ALERT_4_C Contact Calc 2.69000, Rep 2.688(2) ...... Senseless su C8 -H(1) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.25000, Rep 3.245(2) ...... Senseless su C8 -H(2) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.13000, Rep 3.135(2) ...... Senseless su C8 -H(3) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.036(2) ...... Senseless su C8 -H(5) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.05000, Rep 2.049(3) ...... Senseless su C8 -H(6) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.79000, Rep 2.786(3) ...... Senseless su C8 -H(13) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.05000, Rep 2.051(3) ...... Senseless su C16 -H(13) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.035(3) ...... Senseless su C16 -H(14) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.034(3) ...... Senseless su C16 -H(17) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.019(4) ...... Senseless su C16 -H(18) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.721(3) ...... Senseless su C16 -H(19) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.68000, Rep 2.678(3) ...... Senseless su C16 -H(20) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.57000, Rep 3.571(2) ...... Senseless su C2 -H(2) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.07000, Rep 3.069(2) ...... Senseless su C2 -H(5) 1.555 1.645 PLAT754_ALERT_4_C Contact Calc 2.71000, Rep 2.712(4) ...... Senseless su C18 -H(15) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.69000, Rep 2.691(3) ...... Senseless su C18 -H(16) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.036(3) ...... Senseless su C18 -H(17) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.021(3) ...... Senseless su C18 -H(18) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.022(4) ...... Senseless su C18 -H(21) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.018(5) ...... Senseless su C18 -H(22) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.723(3) ...... Senseless su C18 -H(23) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.715(3) ...... Senseless su C18 -H(24) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.15000, Rep 3.148(3) ...... Senseless su C14 -H(1) 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 3.43000, Rep 3.425(2) ...... Senseless su C14 -H(3) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.74000, Rep 2.740(3) ...... Senseless su C14 -H(5) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.80000, Rep 2.802(2) ...... Senseless su C14 -H(6) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.25000, Rep 3.248(3) ...... Senseless su C14 -H(10) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.035(3) ...... Senseless su C14 -H(11) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.735(3) ...... Senseless su C19 -H(17) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.68000, Rep 2.685(3) ...... Senseless su C19 -H(18) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.022(5) ...... Senseless su C19 -H(19) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.025(4) ...... Senseless su C19 -H(20) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.041(3) ...... Senseless su C19 -H(23) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.021(3) ...... Senseless su C19 -H(24) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.728(3) ...... Senseless su C19 -H(25) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.70000, Rep 2.702(4) ...... Senseless su C19 -H(26) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.51000, Rep 3.514(3) ...... Senseless su C10 -H(3) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.75000, Rep 2.748(2) ...... Senseless su C10 -H(4) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.034(3) ...... Senseless su C10 -H(9) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.24000, Rep 3.240(3) ...... Senseless su C10 -H(10) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.22000, Rep 3.223(3) ...... Senseless su C10 -H(12) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.83000, Rep 2.833(3) ...... Senseless su C17 -H(13) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.65000, Rep 2.650(3) ...... Senseless su C17 -H(14) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.014(4) ...... Senseless su C17 -H(15) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.030(3) ...... Senseless su C17 -H(16) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.023(3) ...... Senseless su C17 -H(19) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.036(3) ...... Senseless su C17 -H(20) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.71000, Rep 2.711(3) ...... Senseless su C17 -H(21) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.70000, Rep 2.705(4) ...... Senseless su C17 -H(22) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.58000, Rep 3.580(3) ...... Senseless su C25 -H(23) 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 2.71000, Rep 2.711(3) ...... Senseless su C25 -H(29) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.74000, Rep 2.740(4) ...... Senseless su C25 -H(30) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 2.002(5) ...... Senseless su C25 -H(31) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.041(4) ...... Senseless su C25 -H(32) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.05000, Rep 2.046(3) ...... Senseless su C25 -H(35) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 2.004(4) ...... Senseless su C25 -H(36) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.69000, Rep 2.695(4) ...... Senseless su C25 -H(37) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.70000, Rep 2.698(5) ...... Senseless su C25 -H(38) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.27000, Rep 3.273(2) ...... Senseless su C15 -H(6) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.80000, Rep 2.802(3) ...... Senseless su C15 -H(7) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.014(3) ...... Senseless su C15 -H(15) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.025(3) ...... Senseless su C15 -H(16) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.727(3) ...... Senseless su C15 -H(17) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.70000, Rep 2.702(3) ...... Senseless su C15 -H(18) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.724(3) ...... Senseless su C21 -H(21) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.716(3) ...... Senseless su C21 -H(22) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.031(4) ...... Senseless su C21 -H(23) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.013(5) ...... Senseless su C21 -H(24) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.016(3) ...... Senseless su C21 -H(27) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.033(3) ...... Senseless su C21 -H(28) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.728(4) ...... Senseless su C21 -H(29) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.70000, Rep 2.697(4) ...... Senseless su C21 -H(30) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.037(4) ...... Senseless su C12 -H(9) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.019(4) ...... Senseless su C12 -H(11) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.25000, Rep 3.246(3) ...... Senseless su C12 -H(12) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.716(4) ...... Senseless su C24 -H(27) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.71000, Rep 2.711(4) ...... Senseless su C24 -H(28) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.018(4) ...... Senseless su C24 -H(29) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.05000, Rep 2.046(3) ...... Senseless su C24 -H(30) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.040(4) ...... Senseless su C24 -H(33) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 2.002(5) ...... Senseless su C24 -H(34) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.723(4) ...... Senseless su C24 -H(35) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.727(4) ...... Senseless su C24 -H(36) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.57000, Rep 3.572(4) ...... Senseless su C24 -H(37) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 3.39000, Rep 3.392(4) ...... Senseless su C24 -H(41) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.731(4) ...... Senseless su C20 -H(19) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.71000, Rep 2.705(4) ...... Senseless su C20 -H(20) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.042(3) ...... Senseless su C20 -H(21) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.021(3) ...... Senseless su C20 -H(22) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.032(4) ...... Senseless su C20 -H(25) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.013(5) ...... Senseless su C20 -H(26) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.724(4) ...... Senseless su C20 -H(27) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.729(3) ...... Senseless su C20 -H(28) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.56000, Rep 3.557(3) ...... Senseless su C20 -H(33) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.724(4) ...... Senseless su C22 -H(23) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.725(4) ...... Senseless su C22 -H(24) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.012(3) ...... Senseless su C22 -H(25) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.030(3) ...... Senseless su C22 -H(26) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.027(5) ...... Senseless su C22 -H(29) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.014(4) ...... Senseless su C22 -H(30) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.721(3) ...... Senseless su C22 -H(31) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.715(4) ...... Senseless su C22 -H(32) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.59000, Rep 3.592(4) ...... Senseless su C22 -H(33) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 3.52000, Rep 3.517(4) ...... Senseless su C22 -H(37) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 2.71000, Rep 2.713(4) ...... Senseless su C26 -H(31) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.722(4) ...... Senseless su C26 -H(32) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.043(3) ...... Senseless su C26 -H(33) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 2.001(4) ...... Senseless su C26 -H(34) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.036(4) ...... Senseless su C26 -H(37) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 2.003(5) ...... Senseless su C26 -H(38) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.734(4) ...... Senseless su C26 -H(39) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.74000, Rep 2.742(4) ...... Senseless su C26 -H(40) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.48000, Rep 3.485(5) ...... Senseless su C26 -H(41) 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 3.13000, Rep 3.134(3) ...... Senseless su C13 -H(1) 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 3.24000, Rep 3.239(4) ...... Senseless su C13 -H(9) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.009(4) ...... Senseless su C13 -H(10) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.039(3) ...... Senseless su C13 -H(12) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.58000, Rep 3.578(4) ...... Senseless su C27 -H(27) 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 3.58000, Rep 3.575(4) ...... Senseless su C27 -H(32) 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 2.71000, Rep 2.711(4) ...... Senseless su C27 -H(33) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.70000, Rep 2.696(4) ...... Senseless su C27 -H(34) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.041(4) ...... Senseless su C27 -H(35) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.009(5) ...... Senseless su C27 -H(36) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.021(4) ...... Senseless su C27 -H(39) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.005(4) ...... Senseless su C27 -H(40) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.70000, Rep 2.700(5) ...... Senseless su C27 -H(41) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.67000, Rep 2.669(6) ...... Senseless su C27 -H(42) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.59000, Rep 3.594(3) ...... Senseless su C23 -H(20) 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 2.70000, Rep 2.696(4) ...... Senseless su C23 -H(25) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.721(3) ...... Senseless su C23 -H(26) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.015(4) ...... Senseless su C23 -H(27) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.027(5) ...... Senseless su C23 -H(28) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.018(4) ...... Senseless su C23 -H(31) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.045(3) ...... Senseless su C23 -H(32) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.716(4) ...... Senseless su C23 -H(33) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.719(4) ...... Senseless su C23 -H(34) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.040(4) ...... Senseless su C11 -H(10) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.24000, Rep 3.242(4) ...... Senseless su C11 -H(11) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.74000, Rep 2.742(4) ...... Senseless su C28 -H(35) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.733(5) ...... Senseless su C28 -H(36) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.013(4) ...... Senseless su C28 -H(37) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 1.998(4) ...... Senseless su C28 -H(38) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.030(5) ...... Senseless su C28 -H(41) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.010(6) ...... Senseless su C28 -H(42) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.75000, Rep 2.753(5) ...... Senseless su C28 -H(43) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.34000, Rep 3.344(6) ...... Senseless su C28 -H(44) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.71000, Rep 2.713(5) ...... Senseless su C28 -H(45) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.39000, Rep 3.391(4) ...... Senseless su C29 -H(32) 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 3.45000, Rep 3.454(5) ...... Senseless su C29 -H(35) 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 2.68000, Rep 2.681(5) ...... Senseless su C29 -H(37) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.69000, Rep 2.689(4) ...... Senseless su C29 -H(38) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.039(5) ...... Senseless su C29 -H(39) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.020(6) ...... Senseless su C29 -H(40) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.041(6) ...... Senseless su C29 -H(43) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.022(6) ...... Senseless su C29 -H(44) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 1.996(5) ...... Senseless su C29 -H(45) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.732(5) ...... Senseless su C30 -H(39) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.71000, Rep 2.711(6) ...... Senseless su C30 -H(40) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 1.99000, Rep 1.986(5) ...... Senseless su C30 -H(41) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.031(6) ...... Senseless su C30 -H(42) 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.01000, Rep 3.011(2) ...... Senseless su H(1) -N1 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.48000, Rep 2.483(2) ...... Senseless su H(1) -O2 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.33000, Rep 3.334(2) ...... Senseless su H(1) -C3 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 2.005(2) ...... Senseless su H(1) -N2 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.038(2) ...... Senseless su H(1) -C6 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.67000, Rep 2.671(2) ...... Senseless su H(1) -N3 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.98000, Rep 2.981(2) ...... Senseless su H(1) -C4 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.24000, Rep 3.237(2) ...... Senseless su H(1) -C7 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.69000, Rep 2.688(2) ...... Senseless su H(1) -C8 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.15000, Rep 3.148(3) ...... Senseless su H(1) -C14 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 3.13000, Rep 3.134(3) ...... Senseless su H(1) -C13 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 3.19000, Rep 3.194(2) ...... Senseless su H(2) -CL1 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.56000, Rep 2.560(2) ...... Senseless su H(2) -N1 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.732(2) ...... Senseless su H(2) -O2 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.56000, Rep 2.559(2) ...... Senseless su H(2) -C3 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.27000, Rep 3.271(2) ...... Senseless su H(2) -O1 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 1.99000, Rep 1.990(2) ...... Senseless su H(2) -N2 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.05000, Rep 2.051(2) ...... Senseless su H(2) -C6 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.27000, Rep 3.274(2) ...... Senseless su H(2) -N3 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.51000, Rep 2.511(2) ...... Senseless su H(2) -C4 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.25000, Rep 3.245(2) ...... Senseless su H(2) -C8 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.57000, Rep 3.571(2) ...... Senseless su H(2) -C2 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.58000, Rep 3.5760(10) ...... Senseless su H(3) -CL1 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.46000, Rep 3.459(2) ...... Senseless su H(3) -N1 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 2.76000, Rep 2.758(2) ...... Senseless su H(3) -O2 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 3.38000, Rep 3.380(2) ...... Senseless su H(3) -O1 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 2.65000, Rep 2.653(2) ...... Senseless su H(3) -N2 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 1.99000, Rep 1.990(2) ...... Senseless su H(3) -N3 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.59000, Rep 3.591(2) ...... Senseless su H(3) -C4 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.039(2) ...... Senseless su H(3) -C5 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.56000, Rep 2.559(2) ...... Senseless su H(3) -C7 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.70000, Rep 2.698(2) ...... Senseless su H(3) -C9 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.13000, Rep 3.135(2) ...... Senseless su H(3) -C8 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.43000, Rep 3.425(2) ...... Senseless su H(3) -C14 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.51000, Rep 3.514(3) ...... Senseless su H(3) -C10 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.45000, Rep 2.453(2) ...... Senseless su H(4) -F1 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.26000, Rep 3.262(2) ...... Senseless su H(4) -N2 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 1.995(2) ...... Senseless su H(4) -N3 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.043(2) ...... Senseless su H(4) -C5 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.21000, Rep 3.211(2) ...... Senseless su H(4) -C7 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.54000, Rep 2.539(2) ...... Senseless su H(4) -C9 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.75000, Rep 2.748(2) ...... Senseless su H(4) -C10 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.23000, Rep 3.235(2) ...... Senseless su H(5) -CL3 1.555 1.465 PLAT754_ALERT_4_C Contact Calc 3.44000, Rep 3.444(2) ...... Senseless su H(5) -CL2 1.555 1.465 PLAT754_ALERT_4_C Contact Calc 2.64000, Rep 2.639(2) ...... Senseless su H(5) -O1 1.555 1.465 PLAT754_ALERT_4_C Contact Calc 3.27000, Rep 3.271(2) ...... Senseless su H(5) -N2 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.20000, Rep 3.204(2) ...... Senseless su H(5) -C6 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 1.97000, Rep 1.970(2) ...... Senseless su H(5) -N3 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.56000, Rep 2.560(2) ...... Senseless su H(5) -C9 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.15000, Rep 3.150(2) ...... Senseless su H(5) -C1 1.555 1.465 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.036(2) ...... Senseless su H(5) -C8 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.07000, Rep 3.069(2) ...... Senseless su H(5) -C2 1.555 1.465 PLAT754_ALERT_4_C Contact Calc 2.74000, Rep 2.740(3) ...... Senseless su H(5) -C14 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.21000, Rep 3.211(2) ...... Senseless su H(6) -CL2 1.555 1.465 PLAT754_ALERT_4_C Contact Calc 2.57000, Rep 2.573(3) ...... Senseless su H(6) -O2 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 2.69000, Rep 2.693(2) ...... Senseless su H(6) -N2 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.59000, Rep 2.592(2) ...... Senseless su H(6) -C6 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 1.998(2) ...... Senseless su H(6) -N3 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.20000, Rep 3.200(2) ...... Senseless su H(6) -C5 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.717(2) ...... Senseless su H(6) -C9 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.05000, Rep 2.049(3) ...... Senseless su H(6) -C8 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.80000, Rep 2.802(2) ...... Senseless su H(6) -C14 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.27000, Rep 3.273(2) ...... Senseless su H(6) -C15 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.66000, Rep 2.6560(10) ...... Senseless su H(7) -S1 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.20000, Rep 3.2040(10) ...... Senseless su H(7) -CL3 1.555 1.465 PLAT754_ALERT_4_C Contact Calc 3.40000, Rep 3.397(2) ...... Senseless su H(7) -CL2 1.555 1.565 PLAT754_ALERT_4_C Contact Calc 1.99000, Rep 1.989(2) ...... Senseless su H(7) -N2 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.23000, Rep 3.232(2) ...... Senseless su H(7) -N3 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.55000, Rep 2.548(2) ...... Senseless su H(7) -C4 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.25000, Rep 3.246(2) ...... Senseless su H(7) -C5 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.030(2) ...... Senseless su H(7) -C7 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.80000, Rep 2.802(3) ...... Senseless su H(7) -C15 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.82000, Rep 2.817(2) ...... Senseless su H(8) -CL1 1.555 1.565 PLAT754_ALERT_4_C Contact Calc 3.13000, Rep 3.133(2) ...... Senseless su H(8) -CL2 1.555 1.565 PLAT754_ALERT_4_C Contact Calc 3.55000, Rep 3.551(2) ...... Senseless su H(8) -O1 1.555 1.465 PLAT754_ALERT_4_C Contact Calc 1.99000, Rep 1.991(2) ...... Senseless su H(8) -N2 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.19000, Rep 3.186(2) ...... Senseless su H(8) -C6 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.63000, Rep 2.631(2) ...... Senseless su H(8) -N3 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.99000, Rep 2.990(2) ...... Senseless su H(8) -C4 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.67000, Rep 2.673(2) ...... Senseless su H(8) -C5 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.043(3) ...... Senseless su H(8) -C7 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.50000, Rep 3.505(3) ...... Senseless su H(8) -C1 1.555 1.565 PLAT754_ALERT_4_C Contact Calc 2.55000, Rep 2.552(3) ...... Senseless su H(9) -F1 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.28000, Rep 3.280(3) ...... Senseless su H(9) -C9 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.034(3) ...... Senseless su H(9) -C10 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.037(4) ...... Senseless su H(9) -C12 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.24000, Rep 3.239(4) ...... Senseless su H(9) -C13 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.22000, Rep 3.216(4) ...... Senseless su H(10)-F1 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 3.25000, Rep 3.248(3) ...... Senseless su H(10)-C14 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.24000, Rep 3.240(3) ...... Senseless su H(10)-C10 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.009(4) ...... Senseless su H(10)-C13 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.040(4) ...... Senseless su H(10)-C11 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.55000, Rep 3.554(3) ...... Senseless su H(11)-CL1 1.555 1.465 PLAT754_ALERT_4_C Contact Calc 3.20000, Rep 3.196(3) ...... Senseless su H(11)-F1 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 3.38000, Rep 3.383(3) ...... Senseless su H(11)-N3 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 3.28000, Rep 3.277(3) ...... Senseless su H(11)-C9 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.035(3) ...... Senseless su H(11)-C14 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.019(4) ...... Senseless su H(11)-C12 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.24000, Rep 3.242(4) ...... Senseless su H(11)-C11 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.32000, Rep 3.322(2) ...... Senseless su H(12)-CL1 1.555 1.465 PLAT754_ALERT_4_C Contact Calc 3.39000, Rep 3.387(2) ...... Senseless su H(12)-CL2 1.555 1.465 PLAT754_ALERT_4_C Contact Calc 2.82000, Rep 2.821(3) ...... Senseless su H(12)-O2 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 2.67000, Rep 2.674(2) ...... Senseless su H(12)-N3 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.55000, Rep 2.545(3) ...... Senseless su H(12)-C7 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.034(3) ...... Senseless su H(12)-C9 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.27000, Rep 3.266(3) ...... Senseless su H(12)-C1 1.555 1.465 PLAT754_ALERT_4_C Contact Calc 3.22000, Rep 3.223(3) ...... Senseless su H(12)-C10 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.25000, Rep 3.246(3) ...... Senseless su H(12)-C12 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.039(3) ...... Senseless su H(12)-C13 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.34000, Rep 2.341(2) ...... Senseless su H(13)-S1 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.17000, Rep 3.170(2) ...... Senseless su H(13)-CL2 1.555 1.465 PLAT754_ALERT_4_C Contact Calc 3.47000, Rep 3.472(3) ...... Senseless su H(13)-O2 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 3.03000, Rep 3.033(2) ...... Senseless su H(13)-N2 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.03000, Rep 3.034(2) ...... Senseless su H(13)-C4 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.99000, Rep 2.989(2) ...... Senseless su H(13)-C7 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.79000, Rep 2.786(3) ...... Senseless su H(13)-C8 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.05000, Rep 2.051(3) ...... Senseless su H(13)-C16 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.83000, Rep 2.833(3) ...... Senseless su H(13)-C17 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.21000, Rep 3.209(2) ...... Senseless su H(14)-CL1 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.33000, Rep 2.329(2) ...... Senseless su H(14)-S1 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.42000, Rep 3.421(3) ...... Senseless su H(14)-CL3 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 3.46000, Rep 3.461(3) ...... Senseless su H(14)-N1 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 3.55000, Rep 3.550(2) ...... Senseless su H(14)-O2 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 3.53000, Rep 3.534(3) ...... Senseless su H(14)-N2 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.10000, Rep 3.098(3) ...... Senseless su H(14)-C4 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.035(3) ...... Senseless su H(14)-C16 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.65000, Rep 2.650(3) ...... Senseless su H(14)-C17 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.89000, Rep 2.889(2) ...... Senseless su H(15)-S1 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.71000, Rep 2.712(4) ...... Senseless su H(15)-C18 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.014(4) ...... Senseless su H(15)-C17 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.014(3) ...... Senseless su H(15)-C15 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.66000, Rep 2.658(2) ...... Senseless su H(16)-S1 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.69000, Rep 2.691(3) ...... Senseless su H(16)-C18 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.030(3) ...... Senseless su H(16)-C17 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.025(3) ...... Senseless su H(16)-C15 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.29000, Rep 3.291(2) ...... Senseless su H(17)-S1 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 2.86000, Rep 2.861(2) ...... Senseless su H(17)-CL2 1.555 1.465 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.034(3) ...... Senseless su H(17)-C16 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.036(3) ...... Senseless su H(17)-C18 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.735(3) ...... Senseless su H(17)-C19 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.727(3) ...... Senseless su H(17)-C15 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.53000, Rep 3.528(2) ...... Senseless su H(18)-S1 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 3.15000, Rep 3.151(2) ...... Senseless su H(18)-CL3 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.019(4) ...... Senseless su H(18)-C16 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.021(3) ...... Senseless su H(18)-C18 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.68000, Rep 2.685(3) ...... Senseless su H(18)-C19 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.70000, Rep 2.702(3) ...... Senseless su H(18)-C15 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.721(3) ...... Senseless su H(19)-C16 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.022(5) ...... Senseless su H(19)-C19 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.023(3) ...... Senseless su H(19)-C17 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.731(4) ...... Senseless su H(19)-C20 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.68000, Rep 2.678(3) ...... Senseless su H(20)-C16 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.025(4) ...... Senseless su H(20)-C19 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.036(3) ...... Senseless su H(20)-C17 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.71000, Rep 2.705(4) ...... Senseless su H(20)-C20 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.59000, Rep 3.594(3) ...... Senseless su H(20)-C23 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 3.28000, Rep 3.283(2) ...... Senseless su H(21)-S1 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.022(4) ...... Senseless su H(21)-C18 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.71000, Rep 2.711(3) ...... Senseless su H(21)-C17 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.724(3) ...... Senseless su H(21)-C21 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.042(3) ...... Senseless su H(21)-C20 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.58000, Rep 3.581(2) ...... Senseless su H(22)-S1 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.018(5) ...... Senseless su H(22)-C18 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.70000, Rep 2.705(4) ...... Senseless su H(22)-C17 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.716(3) ...... Senseless su H(22)-C21 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.021(3) ...... Senseless su H(22)-C20 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.723(3) ...... Senseless su H(23)-C18 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.041(3) ...... Senseless su H(23)-C19 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.58000, Rep 3.580(3) ...... Senseless su H(23)-C25 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.031(4) ...... Senseless su H(23)-C21 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.724(4) ...... Senseless su H(23)-C22 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.715(3) ...... Senseless su H(24)-C18 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.021(3) ...... Senseless su H(24)-C19 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.013(5) ...... Senseless su H(24)-C21 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.725(4) ...... Senseless su H(24)-C22 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.728(3) ...... Senseless su H(25)-C19 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.032(4) ...... Senseless su H(25)-C20 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.012(3) ...... Senseless su H(25)-C22 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.70000, Rep 2.696(4) ...... Senseless su H(25)-C23 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.70000, Rep 2.702(4) ...... Senseless su H(26)-C19 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.013(5) ...... Senseless su H(26)-C20 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.030(3) ...... Senseless su H(26)-C22 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.721(3) ...... Senseless su H(26)-C23 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.016(3) ...... Senseless su H(27)-C21 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.716(4) ...... Senseless su H(27)-C24 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.724(4) ...... Senseless su H(27)-C20 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.58000, Rep 3.578(4) ...... Senseless su H(27)-C27 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.015(4) ...... Senseless su H(27)-C23 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.033(3) ...... Senseless su H(28)-C21 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.71000, Rep 2.711(4) ...... Senseless su H(28)-C24 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.729(3) ...... Senseless su H(28)-C20 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.027(5) ...... Senseless su H(28)-C23 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.71000, Rep 2.711(3) ...... Senseless su H(29)-C25 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.728(4) ...... Senseless su H(29)-C21 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.018(4) ...... Senseless su H(29)-C24 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.027(5) ...... Senseless su H(29)-C22 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.74000, Rep 2.740(4) ...... Senseless su H(30)-C25 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.70000, Rep 2.697(4) ...... Senseless su H(30)-C21 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.05000, Rep 2.046(3) ...... Senseless su H(30)-C24 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.014(4) ...... Senseless su H(30)-C22 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 2.002(5) ...... Senseless su H(31)-C25 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.721(3) ...... Senseless su H(31)-C22 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.71000, Rep 2.713(4) ...... Senseless su H(31)-C26 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.018(4) ...... Senseless su H(31)-C23 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.041(4) ...... Senseless su H(32)-C25 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.715(4) ...... Senseless su H(32)-C22 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.722(4) ...... Senseless su H(32)-C26 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.58000, Rep 3.575(4) ...... Senseless su H(32)-C27 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.045(3) ...... Senseless su H(32)-C23 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.39000, Rep 3.391(4) ...... Senseless su H(32)-C29 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.040(4) ...... Senseless su H(33)-C24 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.56000, Rep 3.557(3) ...... Senseless su H(33)-C20 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 3.59000, Rep 3.592(4) ...... Senseless su H(33)-C22 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.043(3) ...... Senseless su H(33)-C26 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.71000, Rep 2.711(4) ...... Senseless su H(33)-C27 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.716(4) ...... Senseless su H(33)-C23 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 2.002(5) ...... Senseless su H(34)-C24 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 2.001(4) ...... Senseless su H(34)-C26 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.70000, Rep 2.696(4) ...... Senseless su H(34)-C27 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.719(4) ...... Senseless su H(34)-C23 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.05000, Rep 2.046(3) ...... Senseless su H(35)-C25 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.72000, Rep 2.723(4) ...... Senseless su H(35)-C24 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.041(4) ...... Senseless su H(35)-C27 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.74000, Rep 2.742(4) ...... Senseless su H(35)-C28 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.45000, Rep 3.454(5) ...... Senseless su H(35)-C29 1.555 1.655 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 2.004(4) ...... Senseless su H(36)-C25 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.727(4) ...... Senseless su H(36)-C24 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.009(5) ...... Senseless su H(36)-C27 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.733(5) ...... Senseless su H(36)-C28 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.69000, Rep 2.695(4) ...... Senseless su H(37)-C25 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.57000, Rep 3.572(4) ...... Senseless su H(37)-C24 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 3.52000, Rep 3.517(4) ...... Senseless su H(37)-C22 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.036(4) ...... Senseless su H(37)-C26 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.013(4) ...... Senseless su H(37)-C28 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.68000, Rep 2.681(5) ...... Senseless su H(37)-C29 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.70000, Rep 2.698(5) ...... Senseless su H(38)-C25 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 2.003(5) ...... Senseless su H(38)-C26 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 1.998(4) ...... Senseless su H(38)-C28 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.69000, Rep 2.689(4) ...... Senseless su H(38)-C29 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.734(4) ...... Senseless su H(39)-C26 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.021(4) ...... Senseless su H(39)-C27 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.039(5) ...... Senseless su H(39)-C29 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.73000, Rep 2.732(5) ...... Senseless su H(39)-C30 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.74000, Rep 2.742(4) ...... Senseless su H(40)-C26 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.005(4) ...... Senseless su H(40)-C27 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.020(6) ...... Senseless su H(40)-C29 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.71000, Rep 2.711(6) ...... Senseless su H(40)-C30 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.39000, Rep 3.392(4) ...... Senseless su H(41)-C24 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 3.48000, Rep 3.485(5) ...... Senseless su H(41)-C26 1.555 1.455 PLAT754_ALERT_4_C Contact Calc 2.70000, Rep 2.700(5) ...... Senseless su H(41)-C27 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.030(5) ...... Senseless su H(41)-C28 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 1.99000, Rep 1.986(5) ...... Senseless su H(41)-C30 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.67000, Rep 2.669(6) ...... Senseless su H(42)-C27 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.01000, Rep 2.010(6) ...... Senseless su H(42)-C28 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.03000, Rep 2.031(6) ...... Senseless su H(42)-C30 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.75000, Rep 2.753(5) ...... Senseless su H(43)-C28 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.04000, Rep 2.041(6) ...... Senseless su H(43)-C29 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 3.34000, Rep 3.344(6) ...... Senseless su H(44)-C28 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.02000, Rep 2.022(6) ...... Senseless su H(44)-C29 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.71000, Rep 2.713(5) ...... Senseless su H(45)-C28 1.555 1.555 PLAT754_ALERT_4_C Contact Calc 2.00000, Rep 1.996(5) ...... Senseless su H(45)-C29 1.555 1.555 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C30 H45 Cl3 F N3 O2 S
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 696 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 693 ALERT type 4 Improvement, methodology, query or suggestion
Alert level C
Computing details top
Data collection: CrystalClear (Rigaku/MSC, 2002); cell refinement: CrystalClear; data reduction: CrystalStructure (Rigaku/MSC, 2003); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: CRYSTALS (Betteridge et al., 2003); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: CrystalStructure.
3,4,4-Trichloro-1-[4-(2-fluorophenyl)piperazinyl]-1-(n-hexadecylsulfanyl)-
2-nitrobuta-1,3-diene top
Crystal data top
| C30H45Cl3FN3O2S | Z = 2 |
| Mr = 637.12 | F(000) = 676.00 |
| Triclinic, P1 | Dx = 1.265 Mg m−3 |
| Hall symbol: -P 1 | Melting point: 362 K |
| a = 7.0852 (4) Å | Mo Kα radiation, λ = 0.7107 Å |
| b = 8.3609 (2) Å | Cell parameters from 12683 reflections |
| c = 30.031 (2) Å | θ = 2.7–30.0° |
| α = 83.958 (7)° | µ = 0.37 mm−1 |
| β = 89.631 (9)° | T = 294 K |
| γ = 71.030 (7)° | Block, orange |
| V = 1672.30 (17) Å3 | 0.40 × 0.40 × 0.20 mm |
Data collection top
| Rigaku R-AXIS diffractometer | 8220 reflections with F2 > 2σ(F2) |
| Detector resolution: 10.00 pixels mm-1 | Rint = 0.033 |
| ω scans | θmax = 30.2° |
| Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | h = −10→10 |
| Tmin = 0.867, Tmax = 0.930 | k = −11→11 |
| 91368 measured reflections | l = −42→42 |
| 9942 independent reflections |
Refinement top
| Refinement on F | H-atom parameters constrained |
| R[F2 > 2σ(F2)] = 0.057 | Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979): 8.9436, 3.9410 and 6.7084 |
| wR(F2) = 0.069 | (Δ/σ)max = 0.003 |
| S = 1.05 | Δρmax = 0.85 e Å−3 |
| 8220 reflections | Δρmin = −0.55 e Å−3 |
| 361 parameters |
Special details top
Geometry. Least Squares Planes ————– Plane number 1 ————— Atoms Defining Plane Distance e.s.d. C5 [1;0;0;0] 0.0042 0.0008 C6 [1;0;0;0] -0.0043 0.0008 C7 [1;0;0;0] 0.0041 0.0008 C8 [1;0;0;0] -0.0044 0.0009 Additional Atoms Distance e.s.d. Mean deviation from plane is 0.0042 angstrom Chi-squared: 25.959 ————– Plane number 2 ————— Atoms Defining Plane Distance e.s.d. C9 [1;0;0;0] -0.0066 0.0010 C10 [1;0;0;0] 0.0104 0.0020 C11 [1;0;0;0] 0.0012 0.0026 C12 [1;0;0;0] -0.0081 0.0019 C13 [1;0;0;0] 0.0029 0.0020 C14 [1;0;0;0] 0.0058 0.0016 Additional Atoms Distance e.s.d. Mean deviation from plane is 0.0058 angstrom Chi-squared: 37.595 Dihedral angles between least-squares planes ——————————————– plane plane angle e.s.d. 1 2 134.242 0.077 |
Refinement. Refinement using reflections with F2 > 3.0 σ(F2). The weighted R-factor(wR), goodness of fit (S) and R-factor (gt) are based on F, with F set to zero for negative F. The threshold expression of F2 > 2.0 σ(F2) is used only for calculating R-factor (gt). |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.54277 (7) | −0.51314 (5) | 0.65833 (2) | 0.05987 (13) | |
| S1 | 0.58008 (6) | −0.19154 (6) | 0.737960 (10) | 0.04691 (10) | |
| Cl3 | 1.08908 (7) | −0.58541 (6) | 0.73053 (2) | 0.06052 (12) | |
| Cl2 | 0.80640 (8) | −0.79586 (6) | 0.71412 (2) | 0.0672 (1) | |
| N1 | 0.9748 (2) | −0.2942 (2) | 0.64558 (5) | 0.0438 (3) | |
| F1 | 0.2902 (2) | 0.2068 (3) | 0.49561 (5) | 0.1052 (5) | |
| O2 | 0.9688 (2) | −0.1469 (2) | 0.63298 (6) | 0.0617 (4) | |
| C3 | 0.8314 (2) | −0.3235 (2) | 0.67536 (5) | 0.0378 (3) | |
| O1 | 1.1087 (2) | −0.4197 (2) | 0.63441 (5) | 0.0589 (4) | |
| N2 | 0.5505 (2) | −0.0758 (2) | 0.64982 (4) | 0.0366 (3) | |
| C6 | 0.3740 (2) | −0.0477 (2) | 0.57814 (5) | 0.0422 (3) | |
| N3 | 0.2551 (2) | 0.1274 (2) | 0.58482 (4) | 0.0426 (3) | |
| C4 | 0.6533 (2) | −0.1924 (2) | 0.68204 (5) | 0.0360 (3) | |
| C5 | 0.5769 (2) | −0.0985 (2) | 0.60203 (5) | 0.0414 (3) | |
| C7 | 0.2213 (2) | 0.1410 (2) | 0.63235 (5) | 0.0426 (3) | |
| C9 | 0.0817 (2) | 0.1949 (2) | 0.55640 (6) | 0.0470 (4) | |
| C1 | 0.7586 (2) | −0.5909 (2) | 0.69031 (6) | 0.0449 (4) | |
| C8 | 0.4208 (2) | 0.0960 (2) | 0.65698 (5) | 0.0432 (4) | |
| C16 | 0.2538 (3) | −0.1556 (3) | 0.78671 (6) | 0.0645 (6) | |
| C2 | 0.8748 (2) | −0.4968 (2) | 0.69621 (5) | 0.0405 (3) | |
| C18 | −0.0030 (4) | −0.1673 (4) | 0.84477 (7) | 0.0709 (7) | |
| C14 | −0.1127 (3) | 0.2295 (3) | 0.57142 (7) | 0.0597 (5) | |
| C19 | −0.1978 (4) | −0.1988 (4) | 0.85509 (7) | 0.0654 (6) | |
| C10 | 0.1015 (3) | 0.2349 (3) | 0.51116 (7) | 0.0683 (6) | |
| C17 | 0.0529 (3) | −0.1762 (3) | 0.79592 (6) | 0.0568 (5) | |
| C25 | −0.9529 (4) | −0.2772 (4) | 1.03160 (8) | 0.0750 (7) | |
| C15 | 0.3147 (3) | −0.1693 (3) | 0.73860 (6) | 0.0563 (5) | |
| C21 | −0.4478 (4) | −0.2246 (4) | 0.91434 (7) | 0.0701 (7) | |
| C12 | −0.2493 (4) | 0.3313 (3) | 0.49716 (9) | 0.0796 (7) | |
| C24 | −0.7568 (4) | −0.2467 (4) | 1.02166 (8) | 0.0745 (7) | |
| C20 | −0.2522 (4) | −0.1942 (4) | 0.90409 (7) | 0.0728 (7) | |
| C22 | −0.5048 (4) | −0.2203 (4) | 0.96301 (7) | 0.0725 (7) | |
| C26 | −1.0100 (4) | −0.2729 (4) | 1.08017 (8) | 0.0772 (8) | |
| C13 | −0.2765 (3) | 0.2971 (3) | 0.54173 (9) | 0.0728 (6) | |
| C27 | −1.2051 (4) | −0.3064 (5) | 1.08943 (9) | 0.0826 (9) | |
| C23 | −0.7003 (4) | −0.2512 (4) | 0.97274 (7) | 0.0728 (7) | |
| C11 | −0.0582 (4) | 0.3009 (4) | 0.48131 (8) | 0.0873 (8) | |
| C28 | −1.2712 (4) | −0.3005 (5) | 1.13693 (9) | 0.0847 (9) | |
| C29 | −1.4666 (5) | −0.3365 (6) | 1.14418 (11) | 0.1046 (12) | |
| C30 | −1.5393 (6) | −0.3279 (7) | 1.19094 (13) | 0.122 (1) | |
| H(1) | 0.6495 | −0.0292 | 0.58875 | 0.0483* | |
| H(2) | 0.6488 | −0.2146 | 0.59935 | 0.0481* | |
| H(3) | 0.3049 | −0.1222 | 0.58994 | 0.0487* | |
| H(4) | 0.3921 | −0.0566 | 0.54702 | 0.0487* | |
| H(5) | 0.1450 | 0.2555 | 0.63577 | 0.0490* | |
| H(6) | 0.1505 | 0.0677 | 0.64400 | 0.0488* | |
| H(7) | 0.3983 | 0.1000 | 0.68812 | 0.0515* | |
| H(8) | 0.4861 | 0.1754 | 0.64678 | 0.0518* | |
| H(9) | −0.0387 | 0.3278 | 0.45046 | 0.0922* | |
| H(10) | −0.3622 | 0.3728 | 0.47717 | 0.0868* | |
| H(11) | −0.4074 | 0.3217 | 0.55296 | 0.0811* | |
| H(12) | −0.1329 | 0.2020 | 0.60219 | 0.0675* | |
| H(13) | 0.2387 | −0.0711 | 0.71977 | 0.0671* | |
| H(14) | 0.2953 | −0.2673 | 0.72879 | 0.0671* | |
| H(15) | 0.2475 | −0.0457 | 0.79363 | 0.0806* | |
| H(16) | 0.3528 | −0.2396 | 0.80541 | 0.0809* | |
| H(17) | −0.0473 | −0.0904 | 0.77795 | 0.0690* | |
| H(18) | 0.0574 | −0.2850 | 0.78841 | 0.0688* | |
| H(19) | −0.0145 | −0.0566 | 0.85193 | 0.0900* | |
| H(20) | 0.1004 | −0.2493 | 0.86286 | 0.0898* | |
| H(21) | −0.3010 | −0.1157 | 0.83721 | 0.0812* | |
| H(22) | −0.1864 | −0.3088 | 0.84733 | 0.0811* | |
| H(23) | −0.1485 | −0.2768 | 0.92198 | 0.093* | |
| H(24) | −0.2644 | −0.0840 | 0.91179 | 0.093* | |
| H(25) | −0.5524 | −0.1396 | 0.89727 | 0.0882* | |
| H(26) | −0.4374 | −0.3332 | 0.90569 | 0.0881* | |
| H(27) | −0.4026 | −0.3074 | 0.98015 | 0.092* | |
| H(28) | −0.5124 | −0.1129 | 0.97200 | 0.0920* | |
| H(29) | −0.6908 | −0.3607 | 0.96492 | 0.0911* | |
| H(30) | −0.8015 | −0.1670 | 0.95462 | 0.0911* | |
| H(31) | −0.7722 | −0.1356 | 1.02910 | 0.093* | |
| H(32) | −0.6527 | −0.3275 | 1.03986 | 0.093* | |
| H(33) | −1.0565 | −0.1974 | 1.01307 | 0.094* | |
| H(34) | −0.9368 | −0.3889 | 1.02455 | 0.094* | |
| H(35) | −0.9063 | −0.3519 | 1.09884 | 0.096* | |
| H(36) | −1.0279 | −0.1609 | 1.08727 | 0.096* | |
| H(37) | −1.3080 | −0.2269 | 1.07066 | 0.102* | |
| H(38) | −1.1865 | −0.4180 | 1.08199 | 0.102* | |
| H(39) | −1.1699 | −0.3806 | 1.15595 | 0.102* | |
| H(40) | −1.2903 | −0.1892 | 1.14468 | 0.102* | |
| H(41) | −1.5674 | −0.2540 | 1.12556 | 0.128* | |
| H(42) | −1.4471 | −0.4461 | 1.13515 | 0.128* | |
| H(43) | −1.5592 | −0.2188 | 1.20039 | 0.144* | |
| H(44) | −1.6612 | −0.3524 | 1.19261 | 0.144* | |
| H(45) | −1.4407 | −0.4114 | 1.20984 | 0.144* |
Atomic displacement parameters (Å2) top
| U11 | U22 | U33 | U12 | U13 | U23 | |
| Cl1 | 0.0434 (2) | 0.0454 (2) | 0.0929 (4) | −0.0168 (2) | −0.0131 (2) | −0.0080 (2) |
| S1 | 0.0411 (2) | 0.0588 (2) | 0.0376 (2) | −0.0110 (2) | 0.00117 (13) | −0.0082 (2) |
| Cl3 | 0.0516 (2) | 0.0589 (2) | 0.0624 (3) | −0.0080 (2) | −0.0189 (2) | 0.0008 (2) |
| Cl2 | 0.0686 (3) | 0.0427 (2) | 0.0868 (4) | −0.0178 (2) | 0.0062 (3) | 0.0075 (2) |
| N1 | 0.0296 (5) | 0.0491 (7) | 0.0514 (7) | −0.0126 (5) | 0.0017 (5) | −0.0004 (5) |
| F1 | 0.0677 (8) | 0.157 (2) | 0.0543 (7) | 0.0058 (9) | 0.0197 (6) | 0.0146 (9) |
| O2 | 0.0441 (6) | 0.0572 (7) | 0.0872 (10) | −0.0256 (6) | 0.0080 (6) | 0.0056 (7) |
| C3 | 0.0309 (6) | 0.0388 (6) | 0.0443 (7) | −0.0122 (5) | 0.0011 (5) | −0.0042 (5) |
| O1 | 0.0381 (6) | 0.0637 (8) | 0.0641 (8) | −0.0033 (5) | 0.0118 (5) | −0.0031 (6) |
| N2 | 0.0327 (5) | 0.0351 (5) | 0.0421 (6) | −0.0104 (4) | 0.0023 (4) | −0.0072 (4) |
| C6 | 0.0361 (7) | 0.0445 (7) | 0.0415 (7) | −0.0054 (5) | 0.0030 (5) | −0.0103 (5) |
| N3 | 0.0380 (6) | 0.0408 (6) | 0.0423 (6) | −0.0040 (5) | 0.0013 (5) | −0.0041 (5) |
| C4 | 0.0327 (6) | 0.0362 (6) | 0.0411 (6) | −0.0130 (5) | 0.0018 (5) | −0.0076 (5) |
| C5 | 0.0355 (7) | 0.0440 (7) | 0.0407 (7) | −0.0074 (5) | 0.0057 (5) | −0.0051 (5) |
| C7 | 0.0414 (7) | 0.0360 (6) | 0.0448 (7) | −0.0035 (5) | 0.0027 (6) | −0.0086 (5) |
| C9 | 0.0415 (8) | 0.0431 (7) | 0.0485 (8) | −0.0035 (6) | −0.0011 (6) | −0.0042 (6) |
| C1 | 0.0399 (7) | 0.0382 (7) | 0.0541 (8) | −0.0103 (6) | 0.0030 (6) | −0.0026 (6) |
| C8 | 0.0472 (8) | 0.0329 (6) | 0.0489 (8) | −0.0105 (5) | −0.0008 (6) | −0.0098 (5) |
| C16 | 0.0621 (11) | 0.094 (2) | 0.0450 (9) | −0.0344 (11) | 0.0140 (8) | −0.0146 (9) |
| C2 | 0.0340 (6) | 0.0394 (6) | 0.0446 (7) | −0.0076 (5) | −0.0003 (5) | −0.0032 (5) |
| C18 | 0.0703 (13) | 0.106 (2) | 0.0486 (10) | −0.0425 (13) | 0.0140 (9) | −0.0158 (10) |
| C14 | 0.0438 (9) | 0.0627 (11) | 0.0617 (10) | −0.0056 (8) | 0.0009 (7) | 0.0033 (8) |
| C19 | 0.0647 (12) | 0.094 (2) | 0.0446 (9) | −0.0340 (11) | 0.0120 (8) | −0.0104 (9) |
| C10 | 0.0538 (10) | 0.083 (1) | 0.0484 (9) | 0.0040 (10) | 0.0039 (8) | −0.0053 (9) |
| C17 | 0.0539 (10) | 0.0732 (12) | 0.0445 (8) | −0.0226 (9) | 0.0089 (7) | −0.0056 (8) |
| C25 | 0.071 (1) | 0.108 (2) | 0.0556 (11) | −0.041 (1) | 0.0165 (10) | −0.0147 (12) |
| C15 | 0.0432 (8) | 0.0828 (13) | 0.0414 (8) | −0.0191 (8) | 0.0071 (6) | −0.0052 (8) |
| C21 | 0.0699 (13) | 0.105 (2) | 0.0456 (9) | −0.0410 (13) | 0.0145 (9) | −0.0128 (10) |
| C12 | 0.0640 (13) | 0.074 (1) | 0.079 (2) | 0.0091 (11) | −0.0261 (11) | −0.0111 (11) |
| C24 | 0.073 (1) | 0.106 (2) | 0.0536 (11) | −0.041 (1) | 0.0159 (10) | −0.0133 (11) |
| C20 | 0.072 (1) | 0.113 (2) | 0.0462 (9) | −0.048 (1) | 0.0130 (9) | −0.0138 (11) |
| C22 | 0.074 (1) | 0.108 (2) | 0.0480 (10) | −0.0454 (13) | 0.0131 (9) | −0.0115 (10) |
| C26 | 0.074 (1) | 0.108 (2) | 0.0574 (12) | −0.040 (1) | 0.0162 (10) | −0.0120 (12) |
| C13 | 0.0447 (10) | 0.0723 (13) | 0.086 (2) | −0.0007 (9) | −0.0082 (10) | 0.0026 (11) |
| C27 | 0.074 (2) | 0.119 (2) | 0.0620 (13) | −0.041 (2) | 0.0172 (11) | −0.0115 (13) |
| C23 | 0.072 (1) | 0.105 (2) | 0.0505 (10) | −0.0407 (13) | 0.0151 (9) | −0.0125 (11) |
| C11 | 0.083 (2) | 0.102 (2) | 0.0463 (10) | 0.012 (1) | −0.0098 (10) | −0.0031 (11) |
| C28 | 0.080 (2) | 0.111 (2) | 0.0634 (13) | −0.034 (2) | 0.0188 (12) | −0.0060 (13) |
| C29 | 0.089 (2) | 0.156 (4) | 0.074 (2) | −0.049 (2) | 0.021 (2) | −0.010 (2) |
| C30 | 0.102 (3) | 0.168 (4) | 0.090 (2) | −0.043 (3) | 0.037 (2) | 0.001 (2) |
Geometric parameters (Å, º) top
| Cl1—C1 | 1.710 (2) | C10—C11 | 1.375 (3) |
| S1—C4 | 1.754 (2) | C17—H(17) | 0.95 |
| S1—C15 | 1.828 (2) | C17—H(18) | 0.95 |
| Cl3—C2 | 1.745 (1) | C25—C24 | 1.514 (4) |
| Cl2—C1 | 1.712 (2) | C25—C26 | 1.512 (3) |
| N1—O2 | 1.237 (2) | C25—H(33) | 0.95 |
| N1—C3 | 1.413 (2) | C25—H(34) | 0.95 |
| N1—O1 | 1.240 (2) | C15—H(13) | 0.95 |
| F1—C10 | 1.368 (3) | C15—H(14) | 0.95 |
| C3—C4 | 1.406 (2) | C21—C20 | 1.513 (4) |
| C3—C2 | 1.452 (2) | C21—C22 | 1.515 (3) |
| N2—C4 | 1.329 (2) | C21—H(25) | 0.95 |
| N2—C5 | 1.470 (2) | C21—H(26) | 0.95 |
| N2—C8 | 1.469 (2) | C12—C13 | 1.365 (4) |
| C6—N3 | 1.467 (2) | C12—C11 | 1.385 (4) |
| C6—C5 | 1.521 (2) | C12—H(10) | 0.95 |
| C6—H(3) | 0.95 | C24—C23 | 1.521 (3) |
| C6—H(4) | 0.95 | C24—H(31) | 0.95 |
| N3—C7 | 1.456 (2) | C24—H(32) | 0.95 |
| N3—C9 | 1.420 (2) | C20—H(23) | 0.95 |
| C5—H(1) | 0.95 | C20—H(24) | 0.95 |
| C5—H(2) | 0.95 | C22—C23 | 1.511 (4) |
| C7—C8 | 1.515 (2) | C22—H(27) | 0.95 |
| C7—H(5) | 0.95 | C22—H(28) | 0.95 |
| C7—H(6) | 0.95 | C26—C27 | 1.515 (5) |
| C9—C14 | 1.394 (3) | C26—H(35) | 0.95 |
| C9—C10 | 1.382 (3) | C26—H(36) | 0.95 |
| C1—C2 | 1.334 (3) | C13—H(11) | 0.95 |
| C8—H(7) | 0.95 | C27—C28 | 1.499 (4) |
| C8—H(8) | 0.95 | C27—H(37) | 0.95 |
| C16—C17 | 1.509 (3) | C27—H(38) | 0.95 |
| C16—C15 | 1.510 (3) | C23—H(29) | 0.95 |
| C16—H(15) | 0.95 | C23—H(30) | 0.95 |
| C16—H(16) | 0.95 | C11—H(9) | 0.95 |
| C18—C19 | 1.511 (4) | C28—C29 | 1.518 (6) |
| C18—C17 | 1.520 (3) | C28—H(39) | 0.95 |
| C18—H(19) | 0.95 | C28—H(40) | 0.95 |
| C18—H(20) | 0.95 | C29—C30 | 1.494 (5) |
| C14—C13 | 1.394 (3) | C29—H(41) | 0.95) |
| C14—H(12) | 0.95 | C29—H(42) | 0.95 |
| C19—C20 | 1.520 (3) | C30—H(43) | 0.95 |
| C19—H(21) | 0.95 | C30—H(44) | 0.95 |
| C19—H(22) | 0.95 | C30—H(45) | 0.95 |
| Cl1···Cl2 | 2.8670 (6) | C20···H(25) | 2.032 (4) |
| Cl1···C3 | 3.041 (2) | C20···H(26) | 2.013 (5) |
| Cl1···O1i | 2.989 (1) | C20···H(27) | 2.724 (4) |
| Cl1···C4 | 3.176 (2) | C20···H(28) | 2.729 (3) |
| Cl1···C2 | 2.669 (2) | C20···H(33)iv | 3.557 (3) |
| Cl1···H(2) | 3.194 (2) | C22···C24 | 2.544 (4) |
| Cl1···H(3) | 3.576 (1) | C22···C20 | 2.552 (4) |
| Cl1···H(8)ii | 2.817 (2) | C22···H(23) | 2.724 (4) |
| Cl1···H(11)iii | 3.554 (3) | C22···H(24) | 2.725 (4) |
| Cl1···H(12)iii | 3.322 (2) | C22···H(25) | 2.012 (3) |
| Cl1···H(14) | 3.209 (2) | C22···H(26) | 2.030 (3) |
| S1···C3 | 2.653 (1) | C22···H(29) | 2.027 (5) |
| S1···N2 | 2.706 (1) | C22···H(30) | 2.014 (4) |
| S1···C8 | 3.164 (1) | C22···H(31) | 2.721 (3) |
| S1···C16 | 2.679 (2) | C22···H(32) | 2.715 (4) |
| S1···C2 | 3.102 (1) | C22···H(33)iv | 3.592 (4) |
| S1···C15 | 1.828 (2) | C22···H(37)iv | 3.517 (4) |
| S1···H(7) | 2.656 (1) | C26···C24 | 2.547 (4) |
| S1···H(13) | 2.341 (2) | C26···C28 | 2.557 (4) |
| S1···H(14) | 2.329 (2) | C26···H(31) | 2.713 (4) |
| S1···H(15) | 2.889 (2) | C26···H(32) | 2.722 (4) |
| S1···H(16) | 2.658 (2) | C26···H(33) | 2.043 (3) |
| S1···H(17)iv | 3.291 (2) | C26···H(34) | 2.001 (4) |
| S1···H(18)iv | 3.528 (2) | C26···H(37) | 2.036 (4) |
| S1···H(21)iv | 3.283 (2) | C26···H(38) | 2.003 (5) |
| S1···H(22)iv | 3.581 (2) | C26···H(39) | 2.734 (4) |
| Cl3···Cl2 | 3.1363 (9) | C26···H(40) | 2.742 (4) |
| Cl3···N1 | 3.245 (1) | C26···H(41)iv | 3.485 (5) |
| Cl3···C3 | 2.748 (1) | C13···C9 | 2.427 (3) |
| Cl3···O1 | 3.090 (2) | C13···C10 | 2.730 (3) |
| Cl3···C1 | 2.657 (2) | C13···C11 | 2.381 (4) |
| Cl3···H(5)iii | 3.235 (2) | C13···H(1)i | 3.134 (3) |
| Cl3···H(7)iii | 3.204 (1) | C13···H(9) | 3.239 (4) |
| Cl3···H(14)iv | 3.421 (3) | C13···H(10) | 2.009 (4) |
| Cl3···H(18)iv | 3.151 (2) | C13···H(12) | 2.039 (3) |
| Cl2···Cl1 | 2.8670 (6) | C27···C25 | 2.535 (4) |
| Cl2···Cl3 | 3.1363 (9) | C27···C29 | 2.525 (5) |
| Cl2···C2 | 2.697 (2) | C27···H(27)i | 3.578 (4) |
| Cl2···H(5)iii | 3.444 (2) | C27···H(32)i | 3.575 (4) |
| Cl2···H(6)iii | 3.211 (2) | C27···H(33) | 2.711 (4) |
| Cl2···H(7)ii | 3.397 (2) | C27···H(34) | 2.696 (4) |
| Cl2···H(8)ii | 3.133 (2) | C27···H(35) | 2.041 (4) |
| Cl2···H(12)iii | 3.387 (2) | C27···H(36) | 2.009 (5) |
| Cl2···H(13)iii | 3.170 (2) | C27···H(39) | 2.021 (4) |
| Cl2···H(17)iii | 2.861 (2) | C27···H(40) | 2.005 (4) |
| N1···Cl3 | 3.245 (1) | C27···H(41) | 2.700 (5) |
| N1···N2 | 2.977 (2) | C27···H(42) | 2.669 (6) |
| N1···C4 | 2.452 (2) | C23···C25 | 2.550 (4) |
| N1···C5 | 2.989 (2) | C23···C21 | 2.542 (4) |
| N1···C1 | 3.470 (2) | C23···H(20)i | 3.594 (3) |
| N1···C2 | 2.430 (2) | C23···H(25) | 2.696 (4) |
| N1···H(1) | 3.011 (2) | C23···H(26) | 2.721 (3) |
| N1···H(2) | 2.560 (2) | C23···H(27) | 2.015 (4) |
| N1···H(3)iv | 3.459 (2) | C23···H(28) | 2.027 (5) |
| N1···H(14)iv | 3.461 (3) | C23···H(31) | 2.018 (4) |
| F1···C6 | 3.018 (2) | C23···H(32) | 2.045 (3) |
| F1···N3 | 2.721 (2) | C23···H(33) | 2.716 (4) |
| F1···C9 | 2.355 (2) | C23···H(34) | 2.719 (4) |
| F1···C11 | 2.361 (3) | C11···F1 | 2.361 (3) |
| F1···H(4) | 2.453 (2) | C11···C9 | 2.427 (3) |
| F1···H(9) | 2.552 (3) | C11···C14 | 2.761 (3) |
| F1···H(10)iv | 3.216 (4) | C11···C13 | 2.381 (4) |
| F1···H(11)iv | 3.196 (3) | C11···H(10) | 2.040 (4) |
| O2···C3 | 2.296 (2) | C11···H(11) | 3.242 (4) |
| O2···O1 | 2.167 (2) | C28···C26 | 2.557 (4) |
| O2···N2 | 2.879 (2) | C28···C30 | 2.541 (5) |
| O2···C6iv | 3.583 (2) | C28···H(35) | 2.742 (4) |
| O2···C4 | 2.776 (2) | C28···H(36) | 2.733 (5) |
| O2···C5 | 2.822 (2) | C28···H(37) | 2.013 (4) |
| O2···C7iv | 3.434 (3) | C28···H(38) | 1.998 (4) |
| O2···C2 | 3.562 (2) | C28···H(41) | 2.030 (5) |
| O2···C14iv | 3.357 (3) | C28···H(42) | 2.010 (6) |
| O2···H(1) | 2.483 (2) | C28···H(43) | 2.753 (5) |
| O2···H(2) | 2.732 (2) | C28···H(44) | 3.344 (6) |
| O2···H(3)iv | 2.758 (2) | C28···H(45) | 2.713 (5) |
| O2···H(6)iv | 2.573 (3) | C29···C27 | 2.525 (5) |
| O2···H(12)iv | 2.821 (3) | C29···H(32)i | 3.391 (4) |
| O2···H(13)iv | 3.472 (3) | C29···H(35)i | 3.454 (5) |
| O2···H(14)iv | 3.550 (2) | C29···H(37) | 2.681 (5) |
| C3···Cl1 | 3.041 (2) | C29···H(38) | 2.689 (4) |
| C3···S1 | 2.653 (1) | C29···H(39) | 2.039 (5) |
| C3···Cl3 | 2.748 (1) | C29···H(40) | 2.020 (6) |
| C3···O2 | 2.296 (2) | C29···H(43) | 2.041 (6) |
| C3···O1 | 2.274 (2) | C29···H(44) | 2.022 (6) |
| C3···N2 | 2.418 (2) | C29···H(45) | 1.996 (5) |
| C3···C5 | 2.935 (2) | C30···C28 | 2.541 (5) |
| C3···C1 | 2.449 (2) | C30···H(39) | 2.732 (5) |
| C3···H(1) | 3.334 (2) | C30···H(40) | 2.711 (6) |
| C3···H(2) | 2.559 (2) | C30···H(41) | 1.986 (5) |
| O1···Cl1iv | 2.989 (1) | C30···H(42) | 2.031 (6) |
| O1···Cl3 | 3.090 (2) | H(1)···N1 | 3.011 (2) |
| O1···O2 | 2.167 (2) | H(1)···O2 | 2.483 (2) |
| O1···C3 | 2.274 (2) | H(1)···C3 | 3.334 (2) |
| O1···C4 | 3.549 (2) | H(1)···N2 | 2.005 (2) |
| O1···C7iii | 3.503 (2) | H(1)···C6 | 2.038 (2) |
| O1···C1 | 3.573 (2) | H(1)···N3 | 2.671 (2) |
| O1···C2 | 2.648 (2) | H(1)···C4 | 2.981 (2) |
| O1···H(2) | 3.271 (2) | H(1)···C7 | 3.237 (2) |
| O1···H(3)iv | 3.380 (2) | H(1)···C8 | 2.688 (2) |
| O1···H(5)iii | 2.639 (2) | H(1)···C14iv | 3.148 (3) |
| O1···H(8)iii | 3.551 (2) | H(1)···C13iv | 3.134 (3) |
| N2···S1 | 2.706 (1) | H(2)···Cl1 | 3.194 (2) |
| N2···N1 | 2.977 (2) | H(2)···N1 | 2.560 (2) |
| N2···O2 | 2.879 (2) | H(2)···O2 | 2.732 (2) |
| N2···C3 | 2.418 (2) | H(2)···C3 | 2.559 (2) |
| N2···C6 | 2.448 (2) | H(2)···O1 | 3.271 (2) |
| N2···N3 | 2.850 (2) | H(2)···N2 | 1.990 (2) |
| N2···C7 | 2.463 (2) | H(2)···C6 | 2.051 (2) |
| N2···C15 | 3.296 (2) | H(2)···N3 | 3.274 (2) |
| N2···H(1) | 2.005 (2) | H(2)···C4 | 2.511 (2) |
| N2···H(2) | 1.990 (2) | H(2)···C8 | 3.245 (2) |
| N2···H(3) | 2.653 (2) | H(2)···C2 | 3.571 (2) |
| N2···H(4) | 3.262 (2) | H(3)···Cl1 | 3.576 (1) |
| N2···H(5) | 3.271 (2) | H(3)···N1i | 3.459 (2) |
| N2···H(6) | 2.693 (2) | H(3)···O2i | 2.758 (2) |
| N2···H(7) | 1.989 (2) | H(3)···O1i | 3.380 (2) |
| N2···H(8) | 1.991 (2) | H(3)···N2 | 2.653 (2) |
| N2···H(13) | 3.033 (2) | H(3)···N3 | 1.990 (2) |
| N2···H(14) | 3.534 (3) | H(3)···C4 | 3.591 (2) |
| C6···F1 | 3.018 (2) | H(3)···C5 | 2.039 (2) |
| C6···O2i | 3.583 (2) | H(3)···C7 | 2.559 (2) |
| C6···N2 | 2.448 (2) | H(3)···C9 | 2.698 (2) |
| C6···C4 | 3.584 (2) | H(3)···C8 | 3.135 (2) |
| C6···C7 | 2.391 (2) | H(3)···C14 | 3.425 (2) |
| C6···C9 | 2.416 (2) | H(3)···C10 | 3.514 (3) |
| C6···C8 | 2.834 (2) | H(4)···F1 | 2.453 (2) |
| C6···C14 | 3.466 (2) | H(4)···N2 | 3.262 (2) |
| C6···C10 | 3.072 (2) | H(4)···N3 | 1.995 (2) |
| C6···H(1) | 2.038 (2) | H(4)···C5 | 2.043 (2) |
| C6···H(2) | 2.051 (2) | H(4)···C7 | 3.211 (2) |
| C6···H(5) | 3.204 (2) | H(4)···C9 | 2.539 (2) |
| C6···H(6) | 2.592 (2) | H(4)···C10 | 2.748 (2) |
| C6···H(8) | 3.186 (2) | H(5)···Cl3v | 3.235 (2) |
| N3···F1 | 2.721 (2) | H(5)···Cl2v | 3.444 (2) |
| N3···N2 | 2.850 (2) | H(5)···O1v | 2.639 (2) |
| N3···C5 | 2.459 (2) | H(5)···N2 | 3.271 (2) |
| N3···C8 | 2.420 (2) | H(5)···C6 | 3.204 (2) |
| N3···C14 | 2.485 (2) | H(5)···N3 | 1.970 (2) |
| N3···C10 | 2.421 (2) | H(5)···C9 | 2.560 (2) |
| N3···H(1) | 2.671 (2) | H(5)···C1v | 3.150 (2) |
| N3···H(2) | 3.274 (2) | H(5)···C8 | 2.036 (2) |
| N3···H(3) | 1.990 (2) | H(5)···C2v | 3.069 (2) |
| N3···H(4) | 1.995 (2) | H(5)···C14 | 2.740 (3) |
| N3···H(5) | 1.970 (2) | H(6)···Cl2v | 3.211 (2) |
| N3···H(6) | 1.998 (2) | H(6)···O2i | 2.573 (3) |
| N3···H(7) | 3.232 (2) | H(6)···N2 | 2.693 (2) |
| N3···H(8) | 2.631 (2) | H(6)···C6 | 2.592 (2) |
| N3···H(11)iv | 3.383 (3) | H(6)···N3 | 1.998 (2) |
| N3···H(12) | 2.674 (2) | H(6)···C5 | 3.200 (2) |
| C4···Cl1 | 3.176 (2) | H(6)···C9 | 2.717 (2) |
| C4···N1 | 2.452 (2) | H(6)···C8 | 2.049 (3) |
| C4···O2 | 2.776 (2) | H(6)···C14 | 2.802 (2) |
| C4···O1 | 3.549 (2) | H(6)···C15 | 3.273 (2) |
| C4···C6 | 3.584 (2) | H(7)···S1 | 2.656 (1) |
| C4···C5 | 2.455 (2) | H(7)···Cl3v | 3.204 (1) |
| C4···C1 | 3.151 (2) | H(7)···Cl2vi | 3.397 (2) |
| C4···C8 | 2.479 (2) | H(7)···N2 | 1.989 (2) |
| C4···C2 | 2.511 (2) | H(7)···N3 | 3.232 (2) |
| C4···C15 | 2.897 (2) | H(7)···C4 | 2.548 (2) |
| C4···H(1) | 2.981 (2) | H(7)···C5 | 3.246 (2) |
| C4···H(2) | 2.511 (2) | H(7)···C7 | 2.030 (2) |
| C4···H(3) | 3.591 (2) | H(7)···C15 | 2.802 (3) |
| C4···H(7) | 2.548 (2) | H(8)···Cl1vi | 2.817 (2) |
| C4···H(8) | 2.990 (2) | H(8)···Cl2vi | 3.133 (2) |
| C4···H(13) | 3.034 (2) | H(8)···O1v | 3.551 (2) |
| C4···H(14) | 3.098 (3) | H(8)···N2 | 1.991 (2) |
| C5···N1 | 2.989 (2) | H(8)···C6 | 3.186 (2) |
| C5···O2 | 2.822 (2) | H(8)···N3 | 2.631 (2) |
| C5···C3 | 2.935 (2) | H(8)···C4 | 2.990 (2) |
| C5···N3 | 2.459 (2) | H(8)···C5 | 2.673 (2) |
| C5···C4 | 2.455 (2) | H(8)···C7 | 2.043 (3) |
| C5···C7 | 2.874 (2) | H(8)···C1vi | 3.505 (3) |
| C5···C8 | 2.442 (2) | H(9)···F1 | 2.552 (3) |
| C5···H(3) | 2.039 (2) | H(9)···C9 | 3.280 (3) |
| C5···H(4) | 2.043 (2) | H(9)···C10 | 2.034 (3) |
| C5···H(6) | 3.200 (2) | H(9)···C12 | 2.037 (4) |
| C5···H(7) | 3.246 (2) | H(9)···C13 | 3.239 (4) |
| C5···H(8) | 2.673 (2) | H(10)···F1i | 3.216 (4) |
| C7···O2i | 3.434 (3) | H(10)···C14 | 3.248 (3) |
| C7···O1v | 3.503 (2) | H(10)···C10 | 3.240 (3) |
| C7···N2 | 2.463 (2) | H(10)···C13 | 2.009 (4) |
| C7···C6 | 2.391 (2) | H(10)···C11 | 2.040 (4) |
| C7···C5 | 2.874 (2) | H(11)···Cl1v | 3.554 (3) |
| C7···C9 | 2.430 (2) | H(11)···F1i | 3.196 (3) |
| C7···C14 | 2.851 (3) | H(11)···N3i | 3.383 (3) |
| C7···H(1) | 3.237 (2) | H(11)···C9 | 3.277 (3) |
| C7···H(3) | 2.559 (2) | H(11)···C14 | 2.035 (3) |
| C7···H(4) | 3.211 (2) | H(11)···C12 | 2.019 (4) |
| C7···H(7) | 2.030 (2) | H(11)···C11 | 3.242 (4) |
| C7···H(8) | 2.043 (3) | H(12)···Cl1v | 3.322 (2) |
| C7···H(12) | 2.545 (3) | H(12)···Cl2v | 3.387 (2) |
| C7···H(13) | 2.989 (2) | H(12)···O2i | 2.821 (3) |
| C9···F1 | 2.355 (2) | H(12)···N3 | 2.674 (2) |
| C9···C6 | 2.416 (2) | H(12)···C7 | 2.545 (3) |
| C9···C7 | 2.430 (2) | H(12)···C9 | 2.034 (3) |
| C9···C12 | 2.802 (3) | H(12)···C1v | 3.266 (3) |
| C9···C13 | 2.427 (3) | H(12)···C10 | 3.223 (3) |
| C9···C11 | 2.427 (3) | H(12)···C12 | 3.246 (3) |
| C9···H(3) | 2.698 (2) | H(12)···C13 | 2.039 (3) |
| C9···H(4) | 2.539 (2) | H(13)···S1 | 2.341 (2) |
| C9···H(5) | 2.560 (2) | H(13)···Cl2v | 3.170 (2) |
| C9···H(6) | 2.717 (2) | H(13)···O2i | 3.472 (3) |
| C9···H(9) | 3.280 (3) | H(13)···N2 | 3.033 (2) |
| C9···H(11) | 3.277 (3) | H(13)···C4 | 3.034 (2) |
| C9···H(12) | 2.034 (3) | H(13)···C7 | 2.989 (2) |
| C1···Cl3 | 2.657 (2) | H(13)···C8 | 2.786 (3) |
| C1···N1 | 3.470 (2) | H(13)···C16 | 2.051 (3) |
| C1···C3 | 2.449 (2) | H(13)···C17 | 2.833 (3) |
| C1···O1 | 3.573 (2) | H(14)···Cl1 | 3.209 (2) |
| C1···C4 | 3.151 (2) | H(14)···S1 | 2.329 (2) |
| C1···H(5)iii | 3.150 (2) | H(14)···Cl3i | 3.421 (3) |
| C1···H(8)ii | 3.505 (3) | H(14)···N1i | 3.461 (3) |
| C1···H(12)iii | 3.266 (3) | H(14)···O2i | 3.550 (2) |
| C8···S1 | 3.164 (1) | H(14)···N2 | 3.534 (3) |
| C8···C6 | 2.834 (2) | H(14)···C4 | 3.098 (3) |
| C8···N3 | 2.420 (2) | H(14)···C16 | 2.035 (3) |
| C8···C4 | 2.479 (2) | H(14)···C17 | 2.650 (3) |
| C8···C5 | 2.442 (2) | H(15)···S1 | 2.889 (2) |
| C8···C15 | 3.378 (3) | H(15)···C18 | 2.712 (4) |
| C8···H(1) | 2.688 (2) | H(15)···C17 | 2.014 (4) |
| C8···H(2) | 3.245 (2) | H(15)···C15 | 2.014 (3) |
| C8···H(3) | 3.135 (2) | H(16)···S1 | 2.658 (2) |
| C8···H(5) | 2.036 (2) | H(16)···C18 | 2.691 (3) |
| C8···H(6) | 2.049 (3) | H(16)···C17 | 2.030 (3) |
| C8···H(13) | 2.786 (3) | H(16)···C15 | 2.025 (3) |
| C16···S1 | 2.679 (2) | H(17)···S1i | 3.291 (2) |
| C16···C18 | 2.530 (3) | H(17)···Cl2v | 2.861 (2) |
| C16···H(13) | 2.051 (3) | H(17)···C16 | 2.034 (3) |
| C16···H(14) | 2.035 (3) | H(17)···C18 | 2.036 (3) |
| C16···H(17) | 2.034 (3) | H(17)···C19 | 2.735 (3) |
| C16···H(18) | 2.019 (4) | H(17)···C15 | 2.727 (3) |
| C16···H(19) | 2.721 (3) | H(18)···S1i | 3.528 (2) |
| C16···H(20) | 2.678 (3) | H(18)···Cl3i | 3.151 (2) |
| C2···Cl1 | 2.669 (2) | H(18)···C16 | 2.019 (4) |
| C2···S1 | 3.102 (1) | H(18)···C18 | 2.021 (3) |
| C2···Cl2 | 2.697 (2) | H(18)···C19 | 2.685 (3) |
| C2···N1 | 2.430 (2) | H(18)···C15 | 2.702 (3) |
| C2···O2 | 3.562 (2) | H(19)···C16 | 2.721 (3) |
| C2···O1 | 2.648 (2) | H(19)···C19 | 2.022 (5) |
| C2···C4 | 2.511 (2) | H(19)···C17 | 2.023 (3) |
| C2···H(2) | 3.571 (2) | H(19)···C20 | 2.731 (4) |
| C2···H(5)iii | 3.069 (2) | H(20)···C16 | 2.678 (3) |
| C18···C16 | 2.530 (3) | H(20)···C19 | 2.025 (4) |
| C18···C20 | 2.544 (4) | H(20)···C17 | 2.036 (3) |
| C18···H(15) | 2.712 (4) | H(20)···C20 | 2.705 (4) |
| C18···H(16) | 2.691 (3) | H(20)···C23iv | 3.594 (3) |
| C18···H(17) | 2.036 (3) | H(21)···S1i | 3.283 (2) |
| C18···H(18) | 2.021 (3) | H(21)···C18 | 2.022 (4) |
| C18···H(21) | 2.022 (4) | H(21)···C17 | 2.711 (3) |
| C18···H(22) | 2.018 (5) | H(21)···C21 | 2.724 (3) |
| C18···H(23) | 2.723 (3) | H(21)···C20 | 2.042 (3) |
| C18···H(24) | 2.715 (3) | H(22)···S1i | 3.581 (2) |
| C14···O2i | 3.357 (3) | H(22)···C18 | 2.018 (5) |
| C14···C6 | 3.466 (2) | H(22)···C17 | 2.705 (4) |
| C14···N3 | 2.485 (2) | H(22)···C21 | 2.716 (3) |
| C14···C7 | 2.851 (3) | H(22)···C20 | 2.021 (3) |
| C14···C10 | 2.361 (3) | H(23)···C18 | 2.723 (3) |
| C14···C12 | 2.393 (3) | H(23)···C19 | 2.041 (3) |
| C14···C11 | 2.761 (3) | H(23)···C25iv | 3.580 (3) |
| C14···H(1)i | 3.148 (3) | H(23)···C21 | 2.031 (4) |
| C14···H(3) | 3.425 (2) | H(23)···C22 | 2.724 (4) |
| C14···H(5) | 2.740 (3) | H(24)···C18 | 2.715 (3) |
| C14···H(6) | 2.802 (2) | H(24)···C19 | 2.021 (3) |
| C14···H(10) | 3.248 (3) | H(24)···C21 | 2.013 (5) |
| C14···H(11) | 2.035 (3) | H(24)···C22 | 2.725 (4) |
| C19···C17 | 2.540 (3) | H(25)···C19 | 2.728 (3) |
| C19···C21 | 2.545 (3) | H(25)···C20 | 2.032 (4) |
| C19···H(17) | 2.735 (3) | H(25)···C22 | 2.012 (3) |
| C19···H(18) | 2.685 (3) | H(25)···C23 | 2.696 (4) |
| C19···H(19) | 2.022 (5) | H(26)···C19 | 2.702 (4) |
| C19···H(20) | 2.025 (4) | H(26)···C20 | 2.013 (5) |
| C19···H(23) | 2.041 (3) | H(26)···C22 | 2.030 (3) |
| C19···H(24) | 2.021 (3) | H(26)···C23 | 2.721 (3) |
| C19···H(25) | 2.728 (3) | H(27)···C21 | 2.016 (3) |
| C19···H(26) | 2.702 (4) | H(27)···C24 | 2.716 (4) |
| C10···C6 | 3.072 (2) | H(27)···C20 | 2.724 (4) |
| C10···N3 | 2.421 (2) | H(27)···C27iv | 3.578 (4) |
| C10···C14 | 2.361 (3) | H(27)···C23 | 2.015 (4) |
| C10···C12 | 2.376 (3) | H(28)···C21 | 2.033 (3) |
| C10···C13 | 2.730 (3) | H(28)···C24 | 2.711 (4) |
| C10···H(3) | 3.514 (3) | H(28)···C20 | 2.729 (3) |
| C10···H(4) | 2.748 (2) | H(28)···C23 | 2.027 (5) |
| C10···H(9) | 2.034 (3) | H(29)···C25 | 2.711 (3) |
| C10···H(10) | 3.240 (3) | H(29)···C21 | 2.728 (4) |
| C10···H(12) | 3.223 (3) | H(29)···C24 | 2.018 (4) |
| C17···C19 | 2.540 (3) | H(29)···C22 | 2.027 (5) |
| C17···C15 | 2.533 (3) | H(30)···C25 | 2.740 (4) |
| C17···H(13) | 2.833 (3) | H(30)···C21 | 2.697 (4) |
| C17···H(14) | 2.650 (3) | H(30)···C24 | 2.046 (3) |
| C17···H(15) | 2.014 (4) | H(30)···C22 | 2.014 (4) |
| C17···H(16) | 2.030 (3) | H(31)···C25 | 2.002 (5) |
| C17···H(19) | 2.023 (3) | H(31)···C22 | 2.721 (3) |
| C17···H(20) | 2.036 (3) | H(31)···C26 | 2.713 (4) |
| C17···H(21) | 2.711 (3) | H(31)···C23 | 2.018 (4) |
| C17···H(22) | 2.705 (4) | H(32)···C25 | 2.041 (4) |
| C25···C27 | 2.535 (4) | H(32)···C22 | 2.715 (4) |
| C25···C23 | 2.550 (4) | H(32)···C26 | 2.722 (4) |
| C25···H(23)i | 3.580 (3) | H(32)···C27iv | 3.575 (4) |
| C25···H(29) | 2.711 (3) | H(32)···C23 | 2.045 (3) |
| C25···H(30) | 2.740 (4) | H(32)···C29iv | 3.391 (4) |
| C25···H(31) | 2.002 (5) | H(33)···C24 | 2.040 (4) |
| C25···H(32) | 2.041 (4) | H(33)···C20i | 3.557 (3) |
| C25···H(35) | 2.046 (3) | H(33)···C22i | 3.592 (4) |
| C25···H(36) | 2.004 (4) | H(33)···C26 | 2.043 (3) |
| C25···H(37) | 2.695 (4) | H(33)···C27 | 2.711 (4) |
| C25···H(38) | 2.698 (5) | H(33)···C23 | 2.716 (4) |
| C15···S1 | 1.828 (2) | H(34)···C24 | 2.002 (5) |
| C15···N2 | 3.296 (2) | H(34)···C26 | 2.001 (4) |
| C15···C4 | 2.897 (2) | H(34)···C27 | 2.696 (4) |
| C15···C8 | 3.378 (3) | H(34)···C23 | 2.719 (4) |
| C15···C17 | 2.533 (3) | H(35)···C25 | 2.046 (3) |
| C15···H(6) | 3.273 (2) | H(35)···C24 | 2.723 (4) |
| C15···H(7) | 2.802 (3) | H(35)···C27 | 2.041 (4) |
| C15···H(15) | 2.014 (3) | H(35)···C28 | 2.742 (4) |
| C15···H(16) | 2.025 (3) | H(35)···C29iv | 3.454 (5) |
| C15···H(17) | 2.727 (3) | H(36)···C25 | 2.004 (4) |
| C15···H(18) | 2.702 (3) | H(36)···C24 | 2.727 (4) |
| C21···C19 | 2.545 (3) | H(36)···C27 | 2.009 (5) |
| C21···C23 | 2.542 (4) | H(36)···C28 | 2.733 (5) |
| C21···H(21) | 2.724 (3) | H(37)···C25 | 2.695 (4) |
| C21···H(22) | 2.716 (3) | H(37)···C24i | 3.572 (4) |
| C21···H(23) | 2.031 (4) | H(37)···C22i | 3.517 (4) |
| C21···H(24) | 2.013 (5) | H(37)···C26 | 2.036 (4) |
| C21···H(27) | 2.016 (3) | H(37)···C28 | 2.013 (4) |
| C21···H(28) | 2.033 (3) | H(37)···C29 | 2.681 (5) |
| C21···H(29) | 2.728 (4) | H(38)···C25 | 2.698 (5) |
| C21···H(30) | 2.697 (4) | H(38)···C26 | 2.003 (5) |
| C12···C9 | 2.802 (3) | H(38)···C28 | 1.998 (4) |
| C12···C14 | 2.393 (3) | H(38)···C29 | 2.689 (4) |
| C12···C10 | 2.376 (3) | H(39)···C26 | 2.734 (4) |
| C12···H(9) | 2.037 (4) | H(39)···C27 | 2.021 (4) |
| C12···H(11) | 2.019 (4) | H(39)···C29 | 2.039 (5) |
| C12···H(12) | 3.246 (3) | H(39)···C30 | 2.732 (5) |
| C24···C22 | 2.544 (4) | H(40)···C26 | 2.742 (4) |
| C24···C26 | 2.547 (4) | H(40)···C27 | 2.005 (4) |
| C24···H(27) | 2.716 (4) | H(40)···C29 | 2.020 (6) |
| C24···H(28) | 2.711 (4) | H(40)···C30 | 2.711 (6) |
| C24···H(29) | 2.018 (4) | H(41)···C24i | 3.392 (4) |
| C24···H(30) | 2.046 (3) | H(41)···C26i | 3.485 (5) |
| C24···H(33) | 2.040 (4) | H(41)···C27 | 2.700 (5) |
| C24···H(34) | 2.002 (5) | H(41)···C28 | 2.030 (5) |
| C24···H(35) | 2.723 (4) | H(41)···C30 | 1.986 (5) |
| C24···H(36) | 2.727 (4) | H(42)···C27 | 2.669 (6) |
| C24···H(37)iv | 3.572 (4) | H(42)···C28 | 2.010 (6) |
| C24···H(41)iv | 3.392 (4) | H(42)···C30 | 2.031 (6) |
| C20···C18 | 2.544 (4) | H(43)···C28 | 2.753 (5) |
| C20···C22 | 2.552 (4) | H(43)···C29 | 2.041 (6) |
| C20···H(19) | 2.731 (4) | H(44)···C28 | 3.344 (6) |
| C20···H(20) | 2.705 (4) | H(44)···C29 | 2.022 (6) |
| C20···H(21) | 2.042 (3) | H(45)···C28 | 2.713 (5) |
| C20···H(22) | 2.021 (3) | H(45)···C29 | 1.996 (5) |
| C4—S1—C15 | 107.89 (8) | C24—C25—H(33) | 109.6 |
| O2—N1—C3 | 120.0 (1) | C24—C25—H(34) | 106.4 |
| O2—N1—O1 | 122.1 (2) | C26—C25—H(33) | 110.0 |
| C3—N1—O1 | 117.9 (1) | C26—C25—H(34) | 106.4 |
| C4—C3—C2 | 122.9 (1) | H(33)—C25—H(34) | 109.5 |
| C4—C3—N1 | 120.9 (1) | H(13)—C15—H(14) | 109.5 |
| C2—C3—N1 | 116.1 (1) | H(13)—C15—S1 | 110.8 |
| C4—N2—C5 | 122.5 (1) | H(13)—C15—C16 | 110.9 |
| C4—N2—C8 | 124.7 (1) | H(14)—C15—S1 | 109.8 |
| C5—N2—C8 | 112.4 (1) | H(14)—C15—C16 | 109.5 |
| N3—C6—C5 | 110.7 (1) | S1—C15—C16 | 106.3 (1) |
| N3—C6—H(3) | 109.5 | C20—C21—C22 | 114.9 (2) |
| N3—C6—H(4) | 109.5 | C20—C21—H(25) | 109.0 |
| C5—C6—H(3) | 109.5 | C20—C21—H(26) | 107.5 |
| C5—C6—H(4) | 109.5 | C22—C21—H(25) | 107.2 |
| H(3)—C6—H(4) | 109.5 | C22—C21—H(26) | 108.7 |
| C7—N3—C9 | 115.3 (1) | H(25)—C21—H(26) | 109.5 |
| C7—N3—C6 | 109.8 (1) | C13—C12—C11 | 120.0 (2) |
| C9—N3—C6 | 113.6 (1) | C13—C12—H(10) | 119.3 |
| S1—C4—C3 | 113.7 (1) | C11—C12—H(10) | 120.7 |
| S1—C4—N2 | 122.1 (1) | C23—C24—H(31) | 107.2 |
| C3—C4—N2 | 124.2 (1) | C23—C24—H(32) | 109.5 |
| H(1)—C5—H(2) | 109.5 | C23—C24—C25 | 114.3 (2) |
| H(1)—C5—N2 | 110.0 (2) | H(31)—C24—H(32) | 109.5 |
| H(1)—C5—C6 | 108.9 (2) | H(31)—C24—C25 | 106.5 |
| H(2)—C5—N2 | 108.7 (2) | H(32)—C24—C25 | 109.7 |
| H(2)—C5—C6 | 110.0 (2) | H(23)—C20—H(24) | 109.5 |
| N2—C5—C6 | 109.8 (1) | H(23)—C20—C19 | 109.3 |
| C8—C7—H(5) | 109.5 | H(23)—C20—C21 | 108.9 |
| C8—C7—H(6) | 110.5 | H(24)—C20—C19 | 107.5 |
| C8—C7—N3 | 109.1 (1) | H(24)—C20—C21 | 107.4 |
| H(5)—C7—H(6) | 109.5 | C19—C20—C21 | 114.1 (2) |
| H(5)—C7—N3 | 108.1 (2) | C23—C22—H(27) | 107.7 |
| H(6)—C7—N3 | 110.6 (2) | C23—C22—H(28) | 108.8 |
| C14—C9—C10 | 116.5 (2) | C23—C22—C21 | 114.3 (2) |
| C14—C9—N3 | 124.0 (2) | H(27)—C22—H(28) | 109.5 |
| C10—C9—N3 | 119.5 (2) | H(27)—C22—C21 | 107.5 |
| C2—C1—Cl1 | 122.0 (1) | H(28)—C22—C21 | 109.0 |
| C2—C1—Cl2 | 124.2 (1) | C27—C26—H(35) | 109.6 |
| Cl1—C1—Cl2 | 113.8 (1) | C27—C26—H(36) | 106.9 |
| H(7)—C8—H(8) | 109.5 | C27—C26—C25 | 113.7 (3) |
| H(7)—C8—N2 | 108.7 (1) | H(35)—C26—H(36) | 109.5 |
| H(7)—C8—C7 | 108.7 (2) | H(35)—C26—C25 | 110.3 |
| H(8)—C8—N2 | 108.9 (2) | H(36)—C26—C25 | 106.7 |
| H(8)—C8—C7 | 109.8 (2) | H(11)—C13—C14 | 119.3 |
| N2—C8—C7 | 111.3 (1) | H(11)—C13—C12 | 120.3 |
| C17—C16—C15 | 114.0 (2) | C14—C13—C12 | 120.4 (2) |
| C17—C16—H(15) | 107.8 | C28—C27—H(37) | 108.5 |
| C17—C16—H(16) | 109.2 | C28—C27—H(38) | 107.2 |
| C15—C16—H(15) | 107.7 | C28—C27—C26 | 116.0 (3) |
| C15—C16—H(16) | 108.6 | H(37)—C27—H(38) | 109.5 |
| H(15)—C16—H(16) | 109.5 | H(37)—C27—C26 | 109.2 |
| Cl3—C2—C3 | 118.2 (1) | H(38)—C27—C26 | 106.4 |
| Cl3—C2—C1 | 118.7 (1) | H(29)—C23—H(30) | 109.5 |
| C3—C2—C1 | 123.0 (1) | H(29)—C23—C24 | 107.2 |
| C19—C18—C17 | 113.9 (2) | H(29)—C23—C22 | 108.8 |
| C19—C18—H(19) | 108.3 | H(30)—C23—C24 | 109.6 |
| C19—C18—H(20) | 108.6 | H(30)—C23—C22 | 107.6 |
| C17—C18—H(19) | 107.7 | C24—C23—C22 | 114.1 (2) |
| C17—C18—H(20) | 108.8 | H(9)—C11—C10 | 120.9 |
| H(19)—C18—H(20) | 109.5 | H(9)—C11—C12 | 120.3 |
| C13—C14—H(12) | 119.7 | C10—C11—C12 | 118.8 (2) |
| C13—C14—C9 | 121.0 (2) | C29—C28—H(39) | 109.2 |
| H(12)—C14—C9 | 119.2 | C29—C28—H(40) | 107.6 |
| C20—C19—H(21) | 109.3 | C29—C28—C27 | 113.6 (3) |
| C20—C19—H(22) | 107.5 | H(39)—C28—H(40) | 109.5 |
| C20—C19—C18 | 114.2 (2) | H(39)—C28—C27 | 109.1 |
| H(21)—C19—H(22) | 109.5 | H(40)—C28—C27 | 107.8 |
| H(21)—C19—C18 | 108.3 | C30—C29—H(41) | 106.6 |
| H(22)—C19—C18 | 108.0 | C30—C29—H(42) | 110.5 |
| C11—C10—F1 | 118.8 (2) | C30—C29—C28 | 115.0 (3) |
| C11—C10—C9 | 123.3 (2) | H(41)—C29—H(42) | 109.5 |
| F1—C10—C9 | 117.9 (2) | H(41)—C29—C28 | 108.4 |
| H(17)—C17—H(18) | 109.5 | H(42)—C29—C28 | 106.7 |
| H(17)—C17—C16 | 109.5 | H(43)—C30—H(44) | 109.5 |
| H(17)—C17—C18 | 108.8 | H(43)—C30—H(45) | 109.5 |
| H(18)—C17—C16 | 108.2 | H(43)—C30—C29 | 111.3 |
| H(18)—C17—C18 | 107.5 | H(44)—C30—H(45) | 109.5 |
| C16—C17—C18 | 113.3 (2) | H(44)—C30—C29 | 109.6 |
| C24—C25—C26 | 114.6 (2) | H(45)—C30—C29 | 107.4 |
| C15—S1—C4—C3 | −132.7 (1) | C9—C14—C13—C12 | −0.2 (4) |
| C15—S1—C4—N2 | 49.1 (2) | C9—C14—C13—H(11) | −178.7 (3) |
| C4—S1—C15—C16 | −175.8 (1) | H(12)—C14—C13—C12 | −177.5 (3) |
| C4—S1—C15—H(13) | −55.2 (2) | H(12)—C14—C13—H(11) | 4.0 (5) |
| C4—S1—C15—H(14) | 65.8 (2) | C18—C19—C20—C21 | 179.6 (2) |
| O2—N1—C3—C4 | 16.6 (2) | C18—C19—C20—H(23) | −58.1 (4) |
| O2—N1—C3—C2 | −166.6 (2) | C18—C19—C20—H(24) | 60.6 (3) |
| O1—N1—C3—C4 | −166.3 (2) | H(21)—C19—C20—C21 | 58.1 (4) |
| O1—N1—C3—C2 | 10.5 (2) | H(21)—C19—C20—H(23) | −179.6 (4) |
| N1—C3—C4—S1 | −140.3 (1) | H(21)—C19—C20—H(24) | −60.9 (4) |
| N1—C3—C4—N2 | 37.9 (3) | H(22)—C19—C20—C21 | −60.6 (3) |
| C2—C3—C4—S1 | 43.2 (2) | H(22)—C19—C20—H(23) | 61.6 (4) |
| C2—C3—C4—N2 | −138.7 (2) | H(22)—C19—C20—H(24) | −179.6 (3) |
| N1—C3—C2—Cl3 | 61.8 (2) | F1—C10—C11—C12 | −179.2 (3) |
| N1—C3—C2—C1 | −118.2 (2) | F1—C10—C11—H(9) | −0.7 (6) |
| C4—C3—C2—Cl3 | −121.5 (2) | C9—C10—C11—C12 | 0.9 (5) |
| C4—C3—C2—C1 | 58.5 (2) | C9—C10—C11—H(9) | 179.4 (4) |
| C5—N2—C4—S1 | −163.5 (1) | C26—C25—C24—C23 | −180.0 (3) |
| C5—N2—C4—C3 | 18.4 (2) | C26—C25—C24—H(31) | −61.8 (3) |
| C8—N2—C4—S1 | 25.0 (2) | C26—C25—C24—H(32) | 56.5 (4) |
| C8—N2—C4—C3 | −153.0 (2) | H(33)—C25—C24—C23 | −55.7 (4) |
| C4—N2—C5—C6 | 134.6 (1) | H(33)—C25—C24—H(31) | 62.5 (4) |
| C4—N2—C5—H(1) | −105.6 (2) | H(33)—C25—C24—H(32) | −179.2 (4) |
| C4—N2—C5—H(2) | 14.2 (3) | H(34)—C25—C24—C23 | 62.6 (3) |
| C8—N2—C5—C6 | −53.0 (2) | H(34)—C25—C24—H(31) | −179.2 (3) |
| C8—N2—C5—H(1) | 66.8 (2) | H(34)—C25—C24—H(32) | −60.9 (4) |
| C8—N2—C5—H(2) | −173.4 (2) | C24—C25—C26—C27 | −179.1 (3) |
| C4—N2—C8—C7 | −133.3 (1) | C24—C25—C26—H(35) | −55.5 (5) |
| C4—N2—C8—H(7) | −13.6 (3) | C24—C25—C26—H(36) | 63.3 (4) |
| C4—N2—C8—H(8) | 105.5 (2) | H(33)—C25—C26—C27 | 56.8 (5) |
| C5—N2—C8—C7 | 54.6 (2) | H(33)—C25—C26—H(35) | −179.6 (5) |
| C5—N2—C8—H(7) | 174.2 (2) | H(33)—C25—C26—H(36) | −60.8 (5) |
| C5—N2—C8—H(8) | −66.6 (2) | H(34)—C25—C26—C27 | −61.7 (4) |
| C5—C6—N3—C7 | −61.2 (2) | H(34)—C25—C26—H(35) | 61.9 (5) |
| C5—C6—N3—C9 | 168.0 (1) | H(34)—C25—C26—H(36) | −179.3 (3) |
| H(3)—C6—N3—C7 | 58.7 (2) | C22—C21—C20—C19 | −179.9 (3) |
| H(3)—C6—N3—C9 | −72.2 (2) | C22—C21—C20—H(23) | 57.6 (4) |
| H(4)—C6—N3—C7 | 178.3 (2) | C22—C21—C20—H(24) | −60.9 (3) |
| H(4)—C6—N3—C9 | 47.5 (2) | H(25)—C21—C20—C19 | −59.6 (4) |
| N3—C6—C5—N2 | 56.1 (2) | H(25)—C21—C20—H(23) | 177.9 (3) |
| N3—C6—C5—H(1) | −64.3 (2) | H(25)—C21—C20—H(24) | 59.5 (4) |
| N3—C6—C5—H(2) | 175.7 (2) | H(26)—C21—C20—C19 | 58.9 (3) |
| H(3)—C6—C5—N2 | −63.7 (2) | H(26)—C21—C20—H(23) | −63.5 (4) |
| H(3)—C6—C5—H(1) | 175.9 (2) | H(26)—C21—C20—H(24) | 178.0 (3) |
| H(3)—C6—C5—H(2) | 55.9 (2) | C20—C21—C22—C23 | −179.9 (3) |
| H(4)—C6—C5—N2 | 176.7 (2) | C20—C21—C22—H(27) | −60.3 (4) |
| H(4)—C6—C5—H(1) | 56.3 (2) | C20—C21—C22—H(28) | 58.2 (3) |
| H(4)—C6—C5—H(2) | −63.7 (2) | H(25)—C21—C22—C23 | 58.8 (4) |
| C6—N3—C7—C8 | 61.0 (2) | H(25)—C21—C22—H(27) | 178.3 (4) |
| C6—N3—C7—H(5) | 179.6 (2) | H(25)—C21—C22—H(28) | −63.1 (4) |
| C6—N3—C7—H(6) | −60.6 (2) | H(26)—C21—C22—C23 | −59.5 (3) |
| C9—N3—C7—C8 | −169.2 (1) | H(26)—C21—C22—H(27) | 60.1 (4) |
| C9—N3—C7—H(5) | −50.5 (2) | H(26)—C21—C22—H(28) | 178.6 (3) |
| C9—N3—C7—H(6) | 69.3 (2) | C11—C12—C13—C14 | −0.8 (4) |
| C6—N3—C9—C14 | 110.9 (2) | C11—C12—C13—H(11) | 177.6 (3) |
| C6—N3—C9—C10 | −71.2 (2) | H(10)—C12—C13—C14 | 177.4 (3) |
| C7—N3—C9—C14 | −17.2 (3) | H(10)—C12—C13—H(11) | −4.2 (6) |
| C7—N3—C9—C10 | 160.8 (2) | C13—C12—C11—C10 | 0.5 (5) |
| N3—C7—C8—N2 | −57.7 (2) | C13—C12—C11—H(9) | −178.0 (4) |
| N3—C7—C8—H(7) | −177.3 (2) | H(10)—C12—C11—C10 | −177.7 (4) |
| N3—C7—C8—H(8) | 62.9 (2) | H(10)—C12—C11—H(9) | 3.8 (6) |
| H(5)—C7—C8—N2 | −175.7 (2) | C25—C24—C23—C22 | 179.8 (2) |
| H(5)—C7—C8—H(7) | 64.7 (2) | C25—C24—C23—H(29) | −59.6 (3) |
| H(5)—C7—C8—H(8) | −55.0 (2) | C25—C24—C23—H(30) | 59.1 (5) |
| H(6)—C7—C8—N2 | 64.0 (2) | H(31)—C24—C23—C22 | 62.1 (3) |
| H(6)—C7—C8—H(7) | −55.7 (2) | H(31)—C24—C23—H(29) | −177.4 (3) |
| H(6)—C7—C8—H(8) | −175.4 (2) | H(31)—C24—C23—H(30) | −58.7 (5) |
| N3—C9—C14—C13 | 179.5 (2) | H(32)—C24—C23—C22 | −56.6 (5) |
| N3—C9—C14—H(12) | −3.2 (4) | H(32)—C24—C23—H(29) | 63.9 (5) |
| C10—C9—C14—C13 | 1.5 (3) | H(32)—C24—C23—H(30) | −177.3 (5) |
| C10—C9—C14—H(12) | 178.8 (3) | C21—C22—C23—C24 | −180.0 (3) |
| N3—C9—C10—F1 | 0.2 (3) | C21—C22—C23—H(29) | 60.4 (3) |
| N3—C9—C10—C11 | −179.9 (2) | C21—C22—C23—H(30) | −58.1 (4) |
| C14—C9—C10—F1 | 178.2 (2) | H(27)—C22—C23—C24 | 60.6 (4) |
| C14—C9—C10—C11 | −1.8 (4) | H(27)—C22—C23—H(29) | −59.0 (4) |
| Cl1—C1—C2—Cl3 | 178.5 (1) | H(27)—C22—C23—H(30) | −177.6 (3) |
| Cl1—C1—C2—C3 | −1.6 (2) | H(28)—C22—C23—C24 | −58.0 (3) |
| Cl2—C1—C2—Cl3 | −0.4 (2) | H(28)—C22—C23—H(29) | −177.6 (3) |
| Cl2—C1—C2—C3 | 179.6 (1) | H(28)—C22—C23—H(30) | 63.9 (4) |
| C15—C16—C17—C18 | 178.3 (2) | C25—C26—C27—C28 | −178.9 (3) |
| C15—C16—C17—H(17) | −60.1 (3) | C25—C26—C27—H(37) | −56.1 (4) |
| C15—C16—C17—H(18) | 59.2 (3) | C25—C26—C27—H(38) | 62.0 (4) |
| H(15)—C16—C17—C18 | −62.2 (3) | H(35)—C26—C27—C28 | 57.1 (4) |
| H(15)—C16—C17—H(17) | 59.4 (3) | H(35)—C26—C27—H(37) | 180.0 (4) |
| H(15)—C16—C17—H(18) | 178.7 (2) | H(35)—C26—C27—H(38) | −62.0 (4) |
| H(16)—C16—C17—C18 | 56.6 (3) | H(36)—C26—C27—C28 | −61.4 (4) |
| H(16)—C16—C17—H(17) | 178.3 (3) | H(36)—C26—C27—H(37) | 61.4 (4) |
| H(16)—C16—C17—H(18) | −62.5 (3) | H(36)—C26—C27—H(38) | 179.5 (3) |
| C17—C16—C15—S1 | −166.8 (2) | C26—C27—C28—C29 | −179.5 (3) |
| C17—C16—C15—H(13) | 72.6 (3) | C26—C27—C28—H(39) | −57.5 (5) |
| C17—C16—C15—H(14) | −48.2 (3) | C26—C27—C28—H(40) | 61.3 (4) |
| H(15)—C16—C15—S1 | 73.6 (2) | H(37)—C27—C28—C29 | 57.3 (5) |
| H(15)—C16—C15—H(13) | −47.0 (4) | H(37)—C27—C28—H(39) | 179.3 (5) |
| H(15)—C16—C15—H(14) | −167.9 (2) | H(37)—C27—C28—H(40) | −61.9 (5) |
| H(16)—C16—C15—S1 | −44.9 (4) | H(38)—C27—C28—C29 | −60.8 (4) |
| H(16)—C16—C15—H(13) | −165.4 (4) | H(38)—C27—C28—H(39) | 61.2 (5) |
| H(16)—C16—C15—H(14) | 73.7 (4) | H(38)—C27—C28—H(40) | −180.0 (4) |
| C17—C18—C19—C20 | 178.6 (2) | C27—C28—C29—C30 | −178.7 (3) |
| C17—C18—C19—H(21) | −59.3 (4) | C27—C28—C29—H(41) | −59.4 (5) |
| C17—C18—C19—H(22) | 59.1 (3) | C27—C28—C29—H(42) | 58.4 (4) |
| H(19)—C18—C19—C20 | −61.6 (3) | H(39)—C28—C29—C30 | 59.3 (5) |
| H(19)—C18—C19—H(21) | 60.5 (3) | H(39)—C28—C29—H(41) | 178.6 (5) |
| H(19)—C18—C19—H(22) | 178.9 (3) | H(39)—C28—C29—H(42) | −63.6 (5) |
| H(20)—C18—C19—C20 | 57.2 (4) | H(40)—C28—C29—C30 | −59.4 (4) |
| H(20)—C18—C19—H(21) | 179.3 (3) | H(40)—C28—C29—H(41) | 59.8 (5) |
| H(20)—C18—C19—H(22) | −62.3 (3) | H(40)—C28—C29—H(42) | 177.7 (4) |
| C19—C18—C17—C16 | −176.4 (2) | C28—C29—C30—H(43) | 59.0 (5) |
| C19—C18—C17—H(17) | 61.6 (4) | C28—C29—C30—H(44) | −179.7 (5) |
| C19—C18—C17—H(18) | −56.9 (3) | C28—C29—C30—H(45) | −60.8 (7) |
| H(19)—C18—C17—C16 | 63.5 (3) | H(41)—C29—C30—H(43) | −61.2 (7) |
| H(19)—C18—C17—H(17) | −58.6 (4) | H(41)—C29—C30—H(44) | 60.0 (7) |
| H(19)—C18—C17—H(18) | −177.0 (3) | H(41)—C29—C30—H(45) | 178.9 (7) |
| H(20)—C18—C17—C16 | −55.0 (4) | H(42)—C29—C30—H(43) | 179.9 (6) |
| H(20)—C18—C17—H(17) | −177.1 (4) | H(42)—C29—C30—H(44) | −58.8 (6) |
| H(20)—C18—C17—H(18) | 64.4 (4) | H(42)—C29—C30—H(45) | 60.1 (7) |
| Symmetry codes: (i) x−1, y, z; (ii) x, y−1, z; (iii) x+1, y−1, z; (iv) x+1, y, z; (v) x−1, y+1, z; (vi) x, y+1, z. |
