0 mol 73 unq 0 iso 0 dist 6.04163 6.34076 5.93252 11.4785 5.64598 9.77992 6.16745 3.85805 9.10566 7.78587 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 8.88953 3.92763 5.93252 12.0993 5.64598 9.77992 11.8357 3.85805 9.10566 7.78587 numMergedOcc 0
2 mol 75 unq 0 iso 0 dist 8.64872 10.4239 7.79912 4.79472 5.15851 10.0425 11.4295 4.74027 9.16597 7.30467 numMergedOcc 0
3 mol 75 unq 1 iso 0 dist 8.64872 12.0967 8.56639 4.79472 5.15851 11.8774 11.4295 4.74027 11.7473 7.30467 numMergedOcc 0
4 mol 75 unq 2 iso 0 dist 8.64872 9.60759 8.59017 4.79472 5.15851 10.0372 11.4295 4.74027 13.2779 7.30467 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.32453 8.18176 6.97941 12.9327 9.49449 6.06861 8.63792 3.69293 7.61521 8.90522 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 8.09965 8.45411 8.14887 9.46933 8.59981 14.9761 18.3288 14.8455 21.5294 9.70065 numMergedOcc 0
7 mol 127 unq 1 iso 0 dist 8.09965 11.3174 9.30299 9.46933 8.59981 14.085 18.3288 14.8455 17.6043 9.70065 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 7.15963 14.1493 9.1374 12.1848 6.71012 4.77278 16.4827 11.618 11.8368 7.61421 numMergedOcc 0
9 mol 181 unq 1 iso 0 dist 7.15963 6.73556 5.98885 12.1848 6.71012 9.14057 16.4827 11.618 15.9184 7.61421 numMergedOcc 0
10 mol 181 unq 2 iso 0 dist 7.15963 5.49666 9.15386 12.1848 6.71012 11.6919 16.4827 11.618 17.4077 7.61421 numMergedOcc 0
11 mol 181 unq 3 iso 0 dist 6.43406 10.9813 7.81386 4.56814 4.93785 6.7991 7.24832 6.13927 8.29467 6.91878 numMergedOcc 0
12 mol 197 unq 0 iso 0 dist 9.14737 9.23779 8.56633 7.69844 8.99696 9.82139 16.3285 11.9685 16.4908 9.77656 numMergedOcc 0
13 mol 197 unq 1 iso 0 dist 9.14737 9.23779 8.56633 7.69844 8.99696 9.82139 16.1559 16.9912 19.1119 9.6071 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 6.20646 5.21426 7.10633 6.27504 5.90931 5.09262 11.1558 6.49075 12.9966 9.58537 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 6.20646 8.35604 8.51516 6.27504 5.90931 12.9483 11.1558 6.49075 13.0232 9.58537 numMergedOcc 0
16 mol 204 unq 2 iso 0 dist 6.73266 5.57112 7.10633 6.67807 5.90931 5.09262 12.0034 6.49075 12.9966 9.58537 numMergedOcc 0
17 mol 204 unq 3 iso 0 dist 6.73266 12.1292 8.51516 6.67807 5.90931 12.9483 12.0034 6.49075 13.0232 9.58537 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 6.15754 11.8245 8.34494 4.48571 6.25105 10.3337 11.0172 13.8525 16.8561 7.91374 numMergedOcc 0
19 mol 234 unq 1 iso 0 dist 6.15754 12.4455 6.56247 4.48571 6.25105 11.216 11.0172 13.8525 18.009 7.91374 numMergedOcc 0
20 mol 234 unq 2 iso 0 dist 6.15754 14.0876 9.36357 4.48571 6.25105 11.4315 11.0172 13.8525 15.3921 7.91374 numMergedOcc 0
21 mol 234 unq 3 iso 0 dist 6.6281 6.65785 8.34494 5.91466 6.25105 10.3337 12.865 13.8525 16.8561 7.91374 numMergedOcc 0
22 mol 234 unq 4 iso 0 dist 6.6281 10.0624 6.56247 5.91466 6.25105 11.216 12.865 13.8525 18.009 7.91374 numMergedOcc 0
23 mol 234 unq 5 iso 0 dist 6.6281 13.9869 9.36357 5.91466 6.25105 11.4315 12.865 13.8525 15.3921 7.91374 numMergedOcc 0
24 mol 234 unq 6 iso 0 dist 8.9413 12.4455 9.45496 6.40261 9.5707 15.9563 11.0172 12.7879 18.009 5.69634 numMergedOcc 0
25 mol 234 unq 7 iso 0 dist 8.9413 12.4455 9.45496 4.48571 7.85175 11.216 11.0172 12.7879 18.009 7.91374 numMergedOcc 0
26 mol 234 unq 8 iso 0 dist 8.9413 14.0876 6.7625 6.40261 9.5707 14.4106 11.0172 12.7879 15.3921 5.69634 numMergedOcc 0
27 mol 234 unq 9 iso 0 dist 8.9413 14.0876 6.7625 4.48571 7.85175 11.4315 11.0172 12.7879 15.3921 7.91374 numMergedOcc 0
28 mol 234 unq 10 iso 0 dist 4.91961 11.5103 9.45496 12.2893 9.5707 15.9563 13.8357 12.7879 18.009 5.69634 numMergedOcc 0
29 mol 234 unq 11 iso 0 dist 4.91961 11.5103 9.45496 11.1927 7.85175 11.216 13.8357 12.7879 18.009 7.91374 numMergedOcc 0
30 mol 234 unq 12 iso 0 dist 4.91961 4.98993 6.7625 12.2893 9.5707 14.4106 13.8357 12.7879 15.3921 5.69634 numMergedOcc 0
31 mol 234 unq 13 iso 0 dist 4.91961 4.98993 6.7625 11.1927 7.85175 11.4315 13.8357 12.7879 15.3921 7.91374 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 6.20344 5.56656 7.88519 12.9748 7.48005 11.6195 11.0634 6.65799 12.9913 9.28024 numMergedOcc 0
33 mol 259 unq 1 iso 0 dist 6.20344 6.08432 7.84554 12.9748 7.48005 11.8736 11.0634 6.65799 14.3297 9.28024 numMergedOcc 0
34 mol 259 unq 2 iso 0 dist 6.20344 10.3156 7.46176 12.9748 7.48005 5.79468 11.0634 6.65799 11.9533 9.28024 numMergedOcc 0
35 mol 259 unq 3 iso 0 dist 6.20344 9.55719 9.18903 12.9748 7.48005 12.6649 11.0634 6.65799 15.5673 9.28024 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 9.64889 15.4648 9.7748 10.971 9.41725 6.58374 14.1815 7.75371 5.69112 9.62597 numMergedOcc 0
