Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite-1.6/data/bond_lengths/bond_lengths_mmff94.ini @ 10:eda78e0f5df6 draft default tip
Deleted selected files
| author | marcel |
|---|---|
| date | Sun, 30 Nov 2014 03:46:08 -0500 |
| parents | 488032d372e1 |
| children |
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--- a/CADDSuite-1.6/data/bond_lengths/bond_lengths_mmff94.ini Sat Dec 15 13:16:40 2012 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,1505 +0,0 @@ -[BondLengths] -key:I key:deg_I key:J key:deg_J key:order value:r0 -@unit_r0=Angstrom -; -; -; I deg_I J deg_J order r0 - --- ------- --- ------- ------- --------- - C 1 C 1 1 1.508 - C 1 C 2 1 1.508 - C 1 C 3 1 1.508 - C 1 C 4 1 1.5086 - C 2 C 1 1 1.508 - C 2 C 2 1 1.5086 - C 2 C 3 1 1.5072 - C 2 C 4 1 1.5093 - C 3 C 1 1 1.508 - C 3 C 2 1 1.5072 - C 3 C 3 1 1.5066 - C 3 C 4 1 1.51 - C 4 C 1 1 1.5086 - C 4 C 2 1 1.5093 - C 4 C 3 1 1.51 - C 4 C 4 1 1.5121 - C 1 C 1 2 1.333 - C 1 C 2 2 1.333 - C 1 C 3 2 1.3333 - C 1 C 4 2 1.344 - C 2 C 1 2 1.333 - C 2 C 2 2 1.3333 - C 2 C 3 2 1.3341 - C 2 C 4 2 1.3453 - C 3 C 1 2 1.3333 - C 3 C 2 2 1.3341 - C 3 C 3 2 1.3358 - C 3 C 4 2 1.3477 - C 4 C 1 2 1.344 - C 4 C 2 2 1.3453 - C 4 C 3 2 1.3477 - C 4 C 4 2 1.3624 - C 1 C 1 3 1.192 - C 1 C 2 3 1.4529 - C 1 C 3 3 1.192 - C 1 C 4 3 1.1917 - C 2 C 1 3 1.452 - 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P 3 O 1 3 1.3367 - P 3 O 3 3 1.6293 - P 4 O 1 3 1.3349 - P 4 O 3 3 1.6213 - P 5 O 1 3 1.334 - P 5 O 3 3 1.6134 - P 6 O 1 3 1.3342 - P 6 O 3 3 1.6153 - P 1 P 1 1 2.18 - P 1 P 2 1 2.18 - P 1 P 3 1 2.18 - P 1 P 4 1 2.1607 - P 1 P 5 1 2.2615 - P 1 P 6 1 2.3913 - P 2 P 1 1 2.18 - P 3 P 1 1 2.18 - P 3 P 3 1 2.2788 - P 3 P 4 1 2.1532 - P 4 P 1 1 2.1607 - P 4 P 3 1 2.1532 - P 4 P 4 1 2.1946 - P 5 P 1 1 2.2616 - P 6 P 1 1 2.3913 - P 1 P 1 2 1.98 - P 1 P 2 2 1.98 - P 1 P 3 2 1.98 - P 1 P 4 2 2.0047 - P 1 P 5 2 2.0183 - P 1 P 6 2 2.0574 - P 2 P 1 2 1.98 - P 3 P 1 2 1.9801 - P 4 P 1 2 2.0047 - P 5 P 1 2 2.0183 - P 6 P 1 2 2.0574 - P 1 P 1 3 1.84 - P 1 P 2 3 1.84 - P 1 P 3 3 1.84 - P 1 P 4 3 1.8549 - P 1 P 5 3 1.8629 - P 1 P 6 3 1.8829 - P 2 P 1 3 1.84 - P 3 P 1 3 1.84 - P 4 P 1 3 1.8549 - P 5 P 1 3 1.8629 - P 6 P 1 3 1.8829 - P 1 S 1 1 2.0694 - P 1 S 2 1 2.0994 - P 1 S 3 1 2.0994 - P 1 S 4 1 2.0512 - P 1 S 5 1 2.0582 - P 1 S 6 1 2.0526 - P 2 S 1 1 2.0694 - P 3 S 1 1 2.0694 - P 3 S 2 1 2.107 - P 3 S 3 1 2.1076 - P 3 S 4 1 2.0602 - P 3 S 5 1 2.0668 - P 3 S 6 1 2.0404 - P 4 S 1 1 1.9399 - P 4 S 2 1 2.0942 - P 4 S 3 1 2.0932 - P 4 S 4 1 2.0484 - P 4 S 5 1 2.0344 - P 4 S 6 1 2.0272 - P 5 S 1 1 2.1158 - P 6 S 1 1 2.1603 - P 1 S 1 2 1.8994 - P 1 S 2 2 1.8994 - P 1 S 3 2 1.8994 - P 1 S 4 2 1.8737 - P 1 S 5 2 1.8769 - P 1 S 6 2 1.8723 - P 2 S 1 2 1.8994 - P 3 S 1 2 1.8994 - P 4 S 1 2 1.9151 - P 5 S 1 2 1.9244 - P 6 S 1 2 1.9437 - P 1 S 1 3 1.7594 - P 1 S 2 3 1.7594 - P 1 S 3 3 1.7594 - P 1 S 4 3 1.7438 - P 1 S 5 3 1.7452 - P 1 S 6 3 1.7418 - P 2 S 1 3 1.7594 - P 3 S 1 3 1.7594 - P 4 S 1 3 1.7688 - P 5 S 1 3 1.7743 - P 6 S 1 3 1.7843 - P 1 H 1 1 1.4168 - P 2 H 1 1 1.4168 - P 3 H 1 1 1.415 - P 4 H 1 1 1.411 - P 5 H 1 1 1.4168 - P 6 H 1 1 1.4168 - P 1 H 1 2 1.4168 - P 2 H 1 2 1.4168 - P 3 H 1 2 1.4168 - P 4 H 1 2 1.4168 - P 5 H 1 2 1.4168 - P 6 H 1 2 1.4168 - P 1 H 1 3 1.4168 - P 2 H 1 3 1.4168 - P 3 H 1 3 1.4168 - P 4 H 1 3 1.4168 - P 5 H 1 3 1.4168 - P 6 H 1 3 1.4168 - P 1 Cl 1 1 2.0445 - P 1 Cl 2 1 2.0445 - P 1 Cl 3 1 2.0445 - P 1 Cl 4 1 2.0745 - P 2 Cl 1 1 2.0445 - P 3 Cl 1 1 2.1 - P 4 Cl 1 1 2.0103 - P 5 Cl 1 1 2.0863 - P 6 Cl 1 1 2.1254 - P 1 Cl 1 2 1.8445 - P 1 Cl 2 2 1.8445 - P 1 Cl 3 2 1.8445 - P 1 Cl 4 2 1.8591 - P 2 Cl 1 2 1.8445 - P 3 Cl 1 2 1.8445 - P 4 Cl 1 2 1.8573 - P 5 Cl 1 2 1.8648 - P 6 Cl 1 2 1.8799 - P 1 Cl 1 3 1.7045 - P 1 Cl 2 3 1.7045 - P 1 Cl 3 3 1.7044 - P 1 Cl 4 3 1.7132 - P 2 Cl 1 3 1.7045 - P 3 Cl 1 3 1.7046 - P 4 Cl 1 3 1.7121 - P 5 Cl 1 3 1.7165 - P 6 Cl 1 3 1.7244 - S 1 C 1 1 1.801 - S 1 C 2 1 1.801 - S 1 C 3 1 1.801 - S 1 C 4 1 1.8265 - S 2 C 1 1 1.805 - S 2 C 2 1 1.8055 - S 2 C 3 1 1.8052 - S 2 C 4 1 1.804 - S 3 C 1 1 1.805 - S 3 C 2 1 1.8053 - S 3 C 3 1 1.8052 - S 3 C 4 1 1.8042 - S 4 C 1 1 1.7882 - S 4 C 2 1 1.7875 - S 4 C 3 1 1.7868 - S 4 C 4 1 1.786 - S 5 C 1 1 1.779 - S 5 C 2 1 1.7781 - S 5 C 3 1 1.777 - S 5 C 4 1 1.7765 - S 6 C 1 1 1.7815 - S 6 C 2 1 1.78 - S 6 C 3 1 1.7812 - S 6 C 4 1 1.7808 - S 1 C 1 2 1.665 - S 1 C 2 2 1.665 - S 1 C 3 2 1.6701 - S 1 C 4 2 1.7243 - S 2 C 1 2 1.665 - S 3 C 1 2 1.665 - S 4 C 1 2 1.6803 - S 5 C 1 2 1.6889 - S 6 C 1 2 1.7086 - S 1 C 1 3 1.4584 - S 1 C 2 3 1.7389 - S 1 C 3 3 1.7187 - S 1 C 4 3 1.8039 - S 2 C 1 3 1.4584 - S 2 C 2 3 1.7594 - S 2 C 3 3 1.7203 - S 2 C 4 3 1.804 - S 3 C 1 3 1.4584 - S 3 C 2 3 1.7586 - S 3 C 3 3 1.7213 - S 3 C 4 3 1.8042 - S 4 C 1 3 1.4502 - S 4 C 2 3 1.737 - S 4 C 3 3 1.6958 - S 4 C 4 3 1.786 - S 5 C 1 3 1.4442 - S 5 C 2 3 1.7251 - S 5 C 3 3 1.6865 - S 5 C 4 3 1.7765 - S 6 C 1 3 1.4468 - S 6 C 2 3 1.7195 - S 6 C 3 3 1.6847 - S 6 C 4 3 1.7808 - S 1 N 1 1 1.7181 - S 1 N 2 1 1.7181 - S 1 N 3 1 1.652 - S 1 N 4 1 1.7132 - S 1 N 5 1 1.8397 - S 2 N 1 1 1.7181 - S 2 N 3 1 1.6536 - S 2 N 4 1 1.7215 - S 3 N 1 1 1.7181 - S 3 N 3 1 1.6568 - S 3 N 4 1 1.7302 - S 4 N 1 1 1.6908 - S 4 N 3 1 1.6347 - S 4 N 4 1 1.7048 - S 5 N 1 1 1.6742 - S 5 N 3 1 1.626 - S 5 N 4 1 1.7001 - S 6 N 1 1 1.6812 - S 6 N 3 1 1.6271 - S 6 N 4 1 1.7058 - S 1 N 1 2 1.5181 - S 1 N 2 2 1.5181 - S 1 N 3 2 1.5181 - S 1 N 4 2 1.5442 - S 1 N 5 2 1.5591 - S 2 N 1 2 1.5181 - S 2 N 3 2 1.5188 - S 3 N 1 2 1.5181 - S 3 N 3 2 1.5191 - S 4 N 1 2 1.5063 - S 4 N 3 2 1.5102 - S 5 N 1 2 1.4972 - S 5 N 3 2 1.5058 - S 6 N 1 2 1.5003 - S 6 N 3 2 1.5046 - S 1 N 1 3 1.6381 - S 1 N 2 3 1.7093 - S 1 N 3 3 1.6381 - S 1 N 4 3 1.6849 - S 1 N 5 3 1.7141 - S 2 N 1 3 1.6381 - S 3 N 1 3 1.6381 - S 4 N 1 3 1.6171 - S 5 N 1 3 1.607 - S 6 N 1 3 1.6054 - S 1 O 1 1 1.6632 - S 1 O 2 1 1.661 - S 1 O 3 1 1.6632 - S 2 O 1 1 1.6632 - S 2 O 2 1 1.6636 - S 2 O 3 1 1.6606 - S 3 O 1 1 1.661 - S 3 O 2 1 1.6638 - S 3 O 3 1 1.6738 - S 4 O 1 1 1.6179 - S 4 O 2 1 1.6478 - S 4 O 3 1 1.6549 - S 5 O 1 1 1.6344 - S 5 O 2 1 1.6399 - S 5 O 3 1 1.6498 - S 6 O 1 1 1.6331 - S 6 O 2 1 1.6397 - S 6 O 3 1 1.6488 - S 1 O 1 2 1.5 - S 1 O 2 2 1.4632 - S 1 O 3 2 1.5 - S 2 O 1 2 1.5 - S 3 O 1 2 1.5 - S 4 O 1 2 1.5008 - S 5 O 1 2 1.503 - S 6 O 1 2 1.5062 - S 1 O 1 3 1.3232 - S 1 O 2 3 1.3232 - S 1 O 3 3 1.661 - S 2 O 1 3 1.3232 - S 2 O 3 3 1.6592 - S 3 O 1 3 1.3232 - S 3 O 2 3 1.6638 - S 3 O 3 3 1.6685 - S 4 O 1 3 1.3194 - S 4 O 2 3 1.6478 - S 4 O 3 3 1.65 - S 5 O 1 3 1.3167 - S 5 O 2 3 1.6399 - S 5 O 3 3 1.6437 - S 6 O 1 3 1.3163 - S 6 O 2 3 1.6397 - S 6 O 3 3 1.6422 - S 1 P 1 1 2.0694 - S 1 P 2 1 2.0694 - S 1 P 3 1 2.0694 - S 1 P 4 1 1.94 - S 1 P 5 1 2.1158 - S 1 P 6 1 2.1603 - S 2 P 1 1 2.0994 - S 2 P 3 1 2.107 - S 2 P 4 1 2.0942 - S 3 P 1 1 2.0994 - S 3 P 3 1 2.1076 - S 3 P 4 1 2.0932 - S 4 P 1 1 2.0924 - S 4 P 3 1 2.0602 - S 4 P 4 1 2.0484 - S 5 P 1 1 2.0582 - S 5 P 3 1 2.0471 - S 5 P 4 1 2.0344 - S 6 P 1 1 2.0526 - S 6 P 3 1 2.0396 - S 6 P 4 1 2.0263 - S 1 P 1 2 1.8994 - S 1 P 2 2 1.8994 - S 1 P 3 2 1.8994 - S 1 P 4 2 1.9151 - S 1 P 5 2 1.9244 - S 1 P 6 2 1.9437 - S 2 P 1 2 1.8994 - S 3 P 1 2 1.8994 - S 4 P 1 2 1.8737 - S 5 P 1 2 1.8624 - S 6 P 1 2 1.8723 - S 1 P 1 3 1.7594 - S 1 P 2 3 1.7594 - S 1 P 3 3 1.7595 - S 1 P 4 3 1.7688 - S 1 P 5 3 1.7743 - S 1 P 6 3 1.7843 - S 2 P 1 3 1.7594 - S 3 P 1 3 1.7594 - S 4 P 1 3 1.7438 - S 5 P 1 3 1.7359 - S 6 P 1 3 1.7418 - S 1 S 1 1 2.05 - S 1 S 2 1 2.05 - S 1 S 3 1 2.05 - S 1 S 4 1 2.007 - S 1 S 5 1 1.9923 - S 1 S 6 1 1.9875 - S 2 S 1 1 2.05 - S 2 S 2 1 2.0515 - S 2 S 3 1 2.0496 - S 2 S 4 1 2.0082 - S 2 S 5 1 1.9947 - S 2 S 6 1 1.9865 - S 3 S 1 1 2.05 - S 3 S 2 1 2.0496 - S 3 S 3 1 2.0528 - S 3 S 4 1 2.0097 - S 3 S 5 1 1.9973 - S 3 S 6 1 1.9924 - S 4 S 1 1 2.007 - S 4 S 2 1 2.0082 - S 4 S 3 1 2.0097 - S 4 S 4 1 1.9769 - S 4 S 5 1 1.9671 - S 4 S 6 1 1.9605 - S 5 S 1 1 1.9923 - S 5 S 2 1 1.9947 - S 5 S 3 1 1.9972 - S 5 S 4 1 1.9671 - S 5 S 5 1 1.9587 - S 5 S 6 1 1.9559 - S 6 S 1 1 1.9875 - S 6 S 2 1 1.9866 - S 6 S 3 1 1.9924 - S 6 S 4 1 1.9606 - S 6 S 5 1 1.9566 - S 6 S 6 1 1.9493 - S 1 S 1 2 2.05 - S 1 S 2 2 2.05 - S 1 S 3 2 2.05 - S 1 S 4 2 2.007 - S 1 S 5 2 1.9923 - S 1 S 6 2 1.9875 - S 2 S 1 2 2.05 - S 2 S 2 2 2.0515 - S 2 S 3 2 2.0496 - S 2 S 4 2 2.0082 - S 2 S 5 2 1.9947 - S 2 S 6 2 1.9865 - S 3 S 1 2 2.05 - S 3 S 2 2 2.0496 - S 3 S 3 2 2.0528 - S 3 S 4 2 2.0097 - S 3 S 5 2 1.9973 - S 3 S 6 2 1.9924 - S 4 S 1 2 2.007 - S 4 S 2 2 2.0082 - S 4 S 3 2 2.0097 - S 4 S 4 2 1.9769 - S 4 S 5 2 1.9671 - S 4 S 6 2 1.9605 - S 5 S 1 2 1.9923 - S 5 S 2 2 1.9947 - S 5 S 3 2 1.9972 - S 5 S 4 2 1.9671 - S 5 S 5 2 1.9587 - S 5 S 6 2 1.9559 - S 6 S 1 2 1.9875 - S 6 S 2 2 1.9866 - S 6 S 3 2 1.9924 - S 6 S 4 2 1.9606 - S 6 S 5 2 1.9566 - S 6 S 6 2 1.9493 - S 1 S 1 3 2.05 - S 1 S 2 3 2.05 - S 1 S 3 3 2.05 - S 1 S 4 3 2.007 - S 1 S 5 3 1.9923 - S 1 S 6 3 1.9875 - S 2 S 1 3 2.05 - S 2 S 2 3 2.0515 - S 2 S 3 3 2.0496 - S 2 S 4 3 2.0082 - S 2 S 5 3 1.9947 - S 2 S 6 3 1.9865 - S 3 S 1 3 2.05 - S 3 S 2 3 2.0496 - S 3 S 3 3 2.0528 - S 3 S 4 3 2.0097 - S 3 S 5 3 1.9973 - S 3 S 6 3 1.9924 - S 4 S 1 3 2.007 - S 4 S 2 3 2.0082 - S 4 S 3 3 2.0097 - S 4 S 4 3 1.9769 - S 4 S 5 3 1.9671 - S 4 S 6 3 1.9605 - S 5 S 1 3 1.9923 - S 5 S 2 3 1.9947 - S 5 S 3 3 1.9972 - S 5 S 4 3 1.9671 - S 5 S 5 3 1.9587 - S 5 S 6 3 1.9559 - S 6 S 1 3 1.9875 - S 6 S 2 3 1.9866 - S 6 S 3 3 1.9924 - S 6 S 4 3 1.9606 - S 6 S 5 3 1.9566 - S 6 S 6 3 1.9493 - S 1 H 1 1 1.341 - S 2 H 1 1 1.341 - S 3 H 1 1 1.341 - S 4 H 1 1 1.3318 - S 5 H 1 1 1.3272 - S 6 H 1 1 1.3317 - S 1 H 1 2 1.341 - S 2 H 1 2 1.341 - S 3 H 1 2 1.341 - S 4 H 1 2 1.3318 - S 5 H 1 2 1.3272 - S 6 H 1 2 1.3317 - S 1 H 1 3 1.341 - S 2 H 1 3 1.341 - S 3 H 1 3 1.341 - S 4 H 1 3 1.3318 - S 5 H 1 3 1.3272 - S 6 H 1 3 1.3317 - S 1 Cl 1 1 2.031 - S 1 Cl 2 1 2.031 - S 1 Cl 3 1 2.031 - S 1 Cl 4 1 2.0566 - S 2 Cl 1 1 2.031 - S 3 Cl 1 1 2.031 - S 4 Cl 1 1 1.9985 - S 5 Cl 1 1 1.9855 - S 6 Cl 1 1 1.9827 - S 1 Cl 1 2 2.031 - S 1 Cl 2 2 2.031 - S 1 Cl 3 2 2.031 - S 1 Cl 4 2 2.0566 - S 2 Cl 1 2 2.031 - S 3 Cl 1 2 2.031 - S 4 Cl 1 2 1.9985 - S 5 Cl 1 2 1.9855 - S 6 Cl 1 2 1.9827 - S 1 Cl 1 3 2.031 - S 1 Cl 2 3 2.031 - S 1 Cl 3 3 2.031 - S 1 Cl 4 3 2.0566 - S 2 Cl 1 3 2.031 - S 3 Cl 1 3 2.031 - S 4 Cl 1 3 1.9985 - S 5 Cl 1 3 1.9855 - S 6 Cl 1 3 1.9827 - H 1 C 1 1 1.093 - H 1 C 2 1 1.093 - H 1 C 3 1 1.093 - H 1 C 4 1 1.0922 - H 1 C 1 2 1.083 - H 1 C 2 2 1.083 - H 1 C 3 2 1.0826 - H 1 C 4 2 1.0922 - H 1 C 1 3 1.0907 - H 1 C 2 3 1.0701 - H 1 C 3 3 1.0826 - H 1 C 4 3 1.0922 - H 1 N 1 1 1.0189 - H 1 N 2 1 1.0189 - H 1 N 3 1 1.019 - H 1 N 4 1 1.0268 - H 1 N 5 1 1.0449 - H 1 N 1 2 1.0189 - H 1 N 2 2 1.0189 - H 1 N 3 2 1.028 - H 1 N 4 2 1.0319 - H 1 N 5 2 1.0449 - H 1 N 1 3 1.0189 - H 1 N 2 3 1.0268 - H 1 N 3 3 1.0189 - H 1 N 4 3 1.0319 - H 1 N 5 3 1.0449 - H 1 O 1 1 0.97781 - H 1 O 2 1 0.969 - H 1 O 3 1 0.991 - H 1 O 1 2 0.97781 - H 1 O 2 2 0.987 - H 1 O 3 2 0.97784 - H 1 O 1 3 0.991 - H 1 O 2 3 0.97781 - H 1 O 3 3 0.97784 - H 1 P 1 1 1.4168 - H 1 P 2 1 1.4168 - H 1 P 3 1 1.415 - H 1 P 4 1 1.411 - H 1 P 5 1 1.4168 - H 1 P 6 1 1.4168 - H 1 P 1 2 1.4168 - H 1 P 2 2 1.4168 - H 1 P 3 2 1.4168 - H 1 P 4 2 1.4168 - H 1 P 5 2 1.4168 - H 1 P 6 2 1.4168 - H 1 P 1 3 1.4168 - H 1 P 2 3 1.4168 - H 1 P 3 3 1.4168 - H 1 P 4 3 1.4168 - H 1 P 5 3 1.4168 - H 1 P 6 3 1.4168 - H 1 S 1 1 1.341 - H 1 S 2 1 1.341 - H 1 S 3 1 1.341 - H 1 S 4 1 1.3318 - H 1 S 5 1 1.3335 - H 1 S 6 1 1.3317 - H 1 S 1 2 1.341 - H 1 S 2 2 1.341 - H 1 S 3 2 1.341 - H 1 S 4 2 1.3318 - H 1 S 5 2 1.3335 - H 1 S 6 2 1.3317 - H 1 S 1 3 1.341 - H 1 S 2 3 1.341 - H 1 S 3 3 1.341 - H 1 S 4 3 1.3318 - H 1 S 5 3 1.3335 - H 1 S 6 3 1.3317 - H 1 H 1 1 0.66 - H 1 H 1 2 0.66 - H 1 H 1 3 0.66 - H 1 Cl 1 1 1.3138 - H 1 Cl 2 1 1.3138 - H 1 Cl 3 1 1.3138 - H 1 Cl 4 1 1.3138 - H 1 Cl 1 2 1.3138 - H 1 Cl 2 2 1.3138 - H 1 Cl 3 2 1.3138 - H 1 Cl 4 2 1.3138 - H 1 Cl 1 3 1.3138 - H 1 Cl 2 3 1.3138 - H 1 Cl 3 3 1.3138 - H 1 Cl 4 3 1.3138 - Cl 1 C 1 1 1.773 - Cl 1 C 2 1 1.773 - Cl 1 C 3 1 1.773 - Cl 1 C 4 1 1.767 - Cl 2 C 1 1 1.773 - Cl 3 C 1 1 1.773 - Cl 4 C 1 1 1.7993 - Cl 1 C 1 2 1.72 - Cl 1 C 2 2 1.72 - Cl 1 C 3 2 1.7018 - Cl 1 C 4 2 1.767 - Cl 2 C 1 2 1.72 - Cl 3 C 1 2 1.72 - Cl 4 C 1 2 1.7425 - Cl 1 C 1 3 1.4231 - Cl 1 C 2 3 1.7739 - Cl 1 C 3 3 1.7018 - Cl 1 C 4 3 1.767 - Cl 2 C 1 3 1.4231 - Cl 3 C 1 3 1.423 - Cl 4 C 1 3 1.4294 - Cl 1 N 1 1 1.7292 - Cl 1 N 2 1 1.7292 - Cl 1 N 3 1 1.761 - Cl 1 N 4 1 1.725 - Cl 1 N 5 1 1.8244 - Cl 2 N 1 1 1.7291 - Cl 3 N 1 1 1.7292 - Cl 4 N 1 1 1.7485 - Cl 1 N 1 2 1.5292 - Cl 1 N 2 2 1.5292 - Cl 1 N 3 2 1.5292 - Cl 1 N 4 2 1.5515 - Cl 1 N 5 2 1.5638 - Cl 2 N 1 2 1.5292 - Cl 3 N 1 2 1.5292 - Cl 4 N 1 2 1.5376 - Cl 1 N 1 3 1.6492 - Cl 1 N 2 3 1.6956 - Cl 1 N 3 3 1.6492 - Cl 1 N 4 3 1.6884 - Cl 1 N 5 3 1.7114 - Cl 2 N 1 3 1.6492 - Cl 3 N 1 3 1.6492 - Cl 4 N 1 3 1.6631 - Cl 1 O 1 1 1.6843 - Cl 1 O 2 1 1.6843 - Cl 1 O 3 1 1.6843 - Cl 2 O 1 1 1.6843 - Cl 3 O 1 1 1.6843 - Cl 4 O 1 1 1.6998 - Cl 1 O 1 2 1.4843 - Cl 1 O 2 2 1.4843 - Cl 1 O 3 2 1.4843 - Cl 2 O 1 2 1.4843 - Cl 3 O 1 2 1.4844 - Cl 4 O 1 2 1.491 - Cl 1 O 1 3 1.3443 - Cl 1 O 2 3 1.3443 - Cl 1 O 3 3 1.3443 - Cl 2 O 1 3 1.3443 - Cl 3 O 1 3 1.3444 - Cl 4 O 1 3 1.3479 - Cl 1 P 1 1 2.0445 - Cl 1 P 2 1 2.0445 - Cl 1 P 3 1 2.1 - Cl 1 P 4 1 2.0103 - Cl 1 P 5 1 2.0863 - Cl 1 P 6 1 2.1254 - Cl 2 P 1 1 2.0445 - Cl 3 P 1 1 2.0447 - Cl 4 P 1 1 2.0745 - Cl 1 P 1 2 1.8445 - Cl 1 P 2 2 1.8445 - Cl 1 P 3 2 1.8446 - Cl 1 P 4 2 1.8573 - Cl 1 P 5 2 1.8648 - Cl 1 P 6 2 1.8799 - Cl 2 P 1 2 1.8445 - Cl 3 P 1 2 1.8445 - Cl 4 P 1 2 1.8591 - Cl 1 P 1 3 1.7045 - Cl 1 P 2 3 1.7045 - Cl 1 P 3 3 1.7045 - Cl 1 P 4 3 1.7121 - Cl 1 P 5 3 1.7165 - Cl 1 P 6 3 1.7244 - Cl 2 P 1 3 1.7045 - Cl 3 P 1 3 1.7045 - Cl 4 P 1 3 1.7132 - Cl 1 S 1 1 2.031 - Cl 1 S 2 1 2.031 - Cl 1 S 3 1 2.031 - Cl 1 S 4 1 1.9985 - Cl 1 S 5 1 1.9855 - Cl 1 S 6 1 1.9827 - Cl 2 S 1 1 2.031 - Cl 3 S 1 1 2.031 - Cl 4 S 1 1 2.0566 - Cl 1 S 1 2 2.031 - Cl 1 S 2 2 2.031 - Cl 1 S 3 2 2.031 - Cl 1 S 4 2 1.9985 - Cl 1 S 5 2 1.9855 - Cl 1 S 6 2 1.9827 - Cl 2 S 1 2 2.031 - Cl 3 S 1 2 2.031 - Cl 4 S 1 2 2.0566 - Cl 1 S 1 3 2.031 - Cl 1 S 2 3 2.031 - Cl 1 S 3 3 2.031 - Cl 1 S 4 3 1.9985 - Cl 1 S 5 3 1.9855 - Cl 1 S 6 3 1.9827 - Cl 2 S 1 3 2.031 - Cl 3 S 1 3 2.031 - Cl 4 S 1 3 2.0566 - Cl 1 H 1 1 1.3138 - Cl 2 H 1 1 1.3138 - Cl 3 H 1 1 1.3138 - Cl 4 H 1 1 1.3138 - Cl 1 H 1 2 1.3138 - Cl 2 H 1 2 1.3138 - Cl 3 H 1 2 1.3138 - Cl 4 H 1 2 1.3138 - Cl 1 H 1 3 1.3138 - Cl 2 H 1 3 1.3138 - Cl 3 H 1 3 1.3138 - Cl 4 H 1 3 1.3138 - Cl 1 Cl 1 1 2.02 - Cl 1 Cl 2 1 2.02 - Cl 1 Cl 3 1 2.02 - Cl 1 Cl 4 1 2.0439 - Cl 2 Cl 1 1 2.02 - Cl 3 Cl 1 1 2.02 - Cl 4 Cl 1 1 2.0439 - Cl 1 Cl 1 2 1.82 - Cl 1 Cl 2 2 1.82 - Cl 1 Cl 3 2 1.82 - Cl 1 Cl 4 2 1.8317 - Cl 2 Cl 1 2 1.82 - Cl 3 Cl 1 2 1.8201 - Cl 4 Cl 1 2 1.8317 - Cl 1 Cl 1 3 1.68 - Cl 1 Cl 2 3 1.68 - Cl 1 Cl 3 3 1.68 - Cl 1 Cl 4 3 1.6869 - Cl 2 Cl 1 3 1.68 - Cl 3 Cl 1 3 1.68 - Cl 4 Cl 1 3 1.6869