0 mol 16 unq 0 iso 0 dist 6.32791 11.2652 9.04834 5.28404 4.7319 6.05535 11.1182 7.65889 5.37568 6.86055 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 6.47132 5.87975 6.46655 9.86595 7.17396 8.94845 6.13703 6.56212 9.85425 7.31539 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 6.47132 5.87975 6.46655 10.2137 9.21998 6.32263 6.13703 6.56212 9.85425 11.1607 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 7.36475 8.53213 4.83274 5.66392 6.97941 10.2219 8.41297 9.6952 8.55291 8.66662 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 7.36475 5.28721 7.89214 5.66392 6.97941 7.74851 8.41297 9.6952 13.2696 8.66662 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 6.5136 7.53046 9.40559 7.08612 7.27724 13.018 5.9335 9.3948 12.698 3.94537 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 6.5136 7.53046 9.40559 7.08612 7.27724 13.018 9.88003 9.74607 12.5563 6.12605 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 6.5136 7.53046 9.40559 11.085 8.03644 11.8978 5.9335 9.3948 12.698 11.3215 numMergedOcc 0
8 mol 95 unq 3 iso 0 dist 6.5136 7.53046 9.40559 11.085 8.03644 11.8978 9.88003 9.74607 12.5563 5.06946 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 9.13413 9.5263 9.43616 9.79513 7.71338 10.746 11.7536 8.47988 6.13615 6.95317 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 9.13413 9.5263 9.43616 9.79513 7.71338 10.746 5.8662 8.0427 4.49971 7.57713 numMergedOcc 0
11 mol 182 unq 0 iso 0 dist 7.21035 8.31643 9.36307 8.27436 9.31746 9.72559 4.16926 9.56028 5.62883 8.82964 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 5.47189 3.91816 7.45401 5.48717 7.54065 6.8549 6.7954 6.61112 5.85073 11.0961 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 9.65951 6.79211 7.7292 11.5989 7.10633 13.4646 4.51957 7.9133 5.99091 10.7169 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 9.65951 6.79211 7.7292 9.99471 8.51516 9.54287 4.51957 7.9133 5.99091 5.57347 numMergedOcc 0
15 mol 204 unq 2 iso 0 dist 9.14829 12.0168 7.7292 6.73339 7.10633 13.4646 9.9552 7.9133 5.99091 10.7169 numMergedOcc 0
16 mol 204 unq 3 iso 0 dist 9.14829 12.0168 7.7292 13.2127 8.51516 9.54287 9.9552 7.9133 5.99091 5.57347 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 9.33638 4.51173 9.40003 15.9383 9.65138 16.5528 10.2403 7.46481 7.66602 11.4955 numMergedOcc 0
18 mol 214 unq 1 iso 0 dist 9.33638 4.51173 9.40003 7.31241 7.14453 9.11345 10.2403 7.46481 7.66602 8.459 numMergedOcc 0
19 mol 214 unq 2 iso 0 dist 9.33638 4.51173 9.40003 17.0758 8.85478 16.922 10.2403 7.46481 7.66602 11.1534 numMergedOcc 0
20 mol 214 unq 3 iso 0 dist 9.33638 16.1753 8.68385 15.9383 9.65138 10.2443 10.2403 7.46481 15.5553 11.4955 numMergedOcc 0
21 mol 214 unq 4 iso 0 dist 9.33638 16.1753 8.68385 7.31241 7.14453 12.5421 10.2403 7.46481 15.5553 8.459 numMergedOcc 0
22 mol 214 unq 5 iso 0 dist 9.33638 16.1753 8.68385 17.0758 8.85478 9.18071 10.2403 7.46481 15.5553 11.1534 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 6.94983 12.1757 7.47238 5.08111 8.27212 10.134 7.30782 6.71524 6.2559 5.10213 numMergedOcc 0
24 mol 276 unq 0 iso 0 dist 6.97104 8.68481 5.30976 12.2532 9.8993 7.38126 9.98339 8.6759 3.87012 9.39944 numMergedOcc 0
25 mol 276 unq 1 iso 0 dist 6.97104 8.68481 5.30976 5.58984 6.87396 6.39319 9.98339 8.6759 3.87012 8.26321 numMergedOcc 0
26 mol 276 unq 2 iso 0 dist 8.63281 7.83895 5.30976 12.388 9.8993 7.38126 7.37489 8.6759 3.87012 9.39944 numMergedOcc 0
27 mol 276 unq 3 iso 0 dist 8.63281 7.83895 5.30976 6.58819 6.87396 6.39319 7.37489 8.6759 3.87012 8.26321 numMergedOcc 0
