0 mol 33 unq 0 iso 0 dist 5.65377 6.82054 4.41045 9.06004 3.82411 4.78873 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 6.47185 4.38299 5.81662 5.92771 3.8412 3.77542 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 6.47185 4.38299 5.81662 10.7473 6.17831 9.97314 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 9.09269 7.49995 7.49792 6.42645 3.70802 4.46067 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 8.05974 9.35273 8.69452 13.2517 7.57912 7.23828 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 9.32172 9.49441 8.39335 15.6005 11.779 9.07629 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 9.32172 9.49441 8.39335 17.8709 13.0405 8.61143 numMergedOcc 0
7 mol 78 unq 2 iso 0 dist 8.93486 5.15922 8.39335 13.4801 11.779 9.07629 numMergedOcc 0
8 mol 78 unq 3 iso 0 dist 8.93486 5.15922 8.39335 13.6342 13.0405 8.61143 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.24862 9.56334 8.15861 11.6326 3.81285 6.67137 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 9.24862 9.56334 8.15861 13.4218 6.17121 7.04244 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 9.24862 11.5742 9.27814 14.2436 11.9486 4.18248 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 7.76517 12.542 8.61597 13.3681 6.46195 9.66837 numMergedOcc 0
13 mol 123 unq 0 iso 0 dist 9.61215 8.3346 8.09682 10.1093 3.61945 5.56127 numMergedOcc 0
14 mol 123 unq 1 iso 0 dist 9.61215 10.1291 8.35926 12.6961 5.85997 8.78115 numMergedOcc 0
15 mol 123 unq 2 iso 0 dist 9.61215 10.1291 8.35926 10.1093 3.61945 8.03692 numMergedOcc 0
16 mol 123 unq 3 iso 0 dist 9.61215 14.6702 7.41568 10.1093 3.61945 5.36214 numMergedOcc 0
17 mol 176 unq 0 iso 0 dist 9.56967 5.37694 9.40603 6.95058 3.75017 8.65645 numMergedOcc 0
18 mol 176 unq 1 iso 0 dist 7.66242 4.99447 8.00223 6.95058 3.84631 6.85902 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 7.79856 6.46602 7.15344 7.00278 6.82158 8.32259 numMergedOcc 0
20 mol 204 unq 1 iso 0 dist 7.79856 6.46602 7.15344 12.0267 11.8793 8.54737 numMergedOcc 0
21 mol 204 unq 2 iso 0 dist 7.79856 8.23616 9.98617 7.00278 6.82158 9.93489 numMergedOcc 0
22 mol 204 unq 3 iso 0 dist 7.79856 8.23616 9.98617 12.0267 11.8793 7.64057 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 7.02347 6.25559 5.28746 12.7842 9.23405 6.96692 numMergedOcc 0
24 mol 266 unq 1 iso 0 dist 7.02347 6.25559 5.28746 12.125 11.313 8.25286 numMergedOcc 0
25 mol 266 unq 2 iso 0 dist 7.02347 6.25559 5.28746 12.4918 13.005 9.9965 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 9.24924 8.2722 7.17276 10.5501 6.30031 7.31132 numMergedOcc 0
27 mol 283 unq 1 iso 0 dist 9.72248 5.93642 7.17276 8.3831 6.30031 7.31132 numMergedOcc 0
28 mol 284 unq 0 iso 0 dist 7.41633 3.39008 5.2862 4.69611 5.88619 5.6964 numMergedOcc 0
29 mol 284 unq 1 iso 0 dist 5.52837 3.39008 5.31097 4.69611 4.57529 5.6964 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 6.81636 6.1158 8.4625 8.08382 11.4589 4.68668 numMergedOcc 0
31 mol 287 unq 1 iso 0 dist 7.80478 15.9206 8.15636 18.7027 11.4888 6.24487 numMergedOcc 0
32 mol 287 unq 2 iso 0 dist 9.22409 5.19316 8.15636 10.9144 11.4888 6.24487 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 6.81636 6.1158 8.4625 8.08382 11.4589 4.68668 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 7.80478 15.9206 8.15636 18.7027 11.4888 6.24487 numMergedOcc 0
35 mol 288 unq 2 iso 0 dist 9.22409 5.19316 8.15636 10.9144 11.4888 6.24487 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 6.81636 6.1158 8.4625 8.08382 11.4589 4.68668 numMergedOcc 0
37 mol 289 unq 1 iso 0 dist 7.80478 15.9206 8.15636 18.7027 11.4888 6.24487 numMergedOcc 0
38 mol 289 unq 2 iso 0 dist 9.22409 5.19316 8.15636 10.9144 11.4888 6.24487 numMergedOcc 0
