0 mol 25 unq 0 iso 0 dist 6.69002 11.8565 6.85556 12.7461 9.62401 5.09159 12.1471 5.68392 6.03987 10.7177 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 5.7405 10.4238 6.14538 10.352 6.30987 5.06052 5.59773 4.29856 6.83299 5.02241 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 9.78973 7.91078 7.16773 4.86374 5.84875 6.28202 14.838 6.63327 8.66265 11.465 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 7.88172 12.965 8.80614 6.82593 7.6481 13.9007 15.9015 10.2049 6.86465 17.4911 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.88172 12.965 8.80614 6.82593 7.6481 13.9007 12.9181 9.95364 6.62496 16.3613 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 7.88172 12.965 8.80614 6.82593 7.6481 13.9007 10.671 5.49591 6.35756 12.7237 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 7.88172 12.965 8.80614 15.7855 9.11258 6.47744 15.9015 10.2049 6.86465 8.63333 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 7.88172 12.965 8.80614 15.7855 9.11258 6.47744 12.9181 9.95364 6.62496 11.5023 numMergedOcc 0
8 mol 58 unq 5 iso 0 dist 7.88172 12.965 8.80614 15.7855 9.11258 6.47744 10.671 5.49591 6.35756 8.89374 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 6.91141 9.19589 9.24757 11.5311 7.10439 7.41074 10.1845 5.11416 9.96396 8.70133 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 6.91141 9.19589 9.24757 11.5311 7.10439 7.41074 10.8928 6.56633 6.19304 4.65521 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 6.91141 9.19589 9.24757 11.5311 7.10439 7.41074 12.1403 15.3808 8.70481 15.9587 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 5.79841 13.8798 9.82915 5.71795 6.05495 15.8792 10.7029 9.29301 7.97049 13.9302 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 5.79841 13.8798 9.82915 5.71795 6.05495 15.8792 14.7997 13.5116 7.47541 18.8901 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 7.44343 11.8037 6.95572 6.12826 6.72712 9.32974 9.514 9.50382 7.4729 10.6071 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 7.44343 11.8037 6.95572 6.12826 6.72712 9.32974 13.0248 7.56363 6.82344 13.3102 numMergedOcc 0
16 mol 92 unq 2 iso 0 dist 7.44343 11.8037 6.95572 5.02124 5.39745 6.99832 9.514 9.50382 7.4729 5.81965 numMergedOcc 0
17 mol 92 unq 3 iso 0 dist 7.44343 11.8037 6.95572 5.02124 5.39745 6.99832 13.0248 7.56363 6.82344 9.70512 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 5.80404 6.80292 9.22232 10.546 8.21165 12.0863 13.0521 16.0138 7.11802 16.3407 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 5.75595 11.2897 7.78652 5.12098 6.97487 10.0989 11.3921 6.48978 5.99315 9.60643 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 5.75595 11.2897 7.78652 6.50232 6.46089 6.01455 11.3921 6.48978 5.99315 9.27292 numMergedOcc 0
21 mol 156 unq 0 iso 0 dist 9.6281 5.0966 9.44367 10.3893 5.81122 7.29758 7.30021 5.4555 7.44554 6.27641 numMergedOcc 0
22 mol 156 unq 1 iso 0 dist 9.6281 5.75141 7.90267 10.3893 5.81122 8.67156 10.6034 6.03934 7.66148 10.9818 numMergedOcc 0
23 mol 156 unq 2 iso 0 dist 9.6281 5.75141 7.90267 10.3893 5.81122 8.67156 7.30021 5.4555 8.94056 6.27641 numMergedOcc 0
24 mol 156 unq 3 iso 0 dist 6.22667 9.07974 9.44367 7.02779 5.81122 7.29758 10.0734 5.4555 7.44554 6.27641 numMergedOcc 0
25 mol 156 unq 4 iso 0 dist 6.22667 5.70205 7.90267 7.02779 5.81122 8.67156 6.71202 6.03934 7.66148 10.9818 numMergedOcc 0
26 mol 156 unq 5 iso 0 dist 6.22667 5.70205 7.90267 7.02779 5.81122 8.67156 10.0734 5.4555 8.94056 6.27641 numMergedOcc 0
27 mol 167 unq 0 iso 0 dist 9.69399 12.5567 9.67741 6.28495 7.80054 6.36909 20.4488 13.0123 9.87651 15.1367 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 6.20377 12.3562 9.55668 10.2924 7.95766 4.65302 11.5033 7.60081 5.4638 8.21247 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 9.69025 5.71237 7.98231 15.1483 8.71497 11.6195 6.77279 8.41846 8.13497 10.9591 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 9.69025 5.71237 7.98231 15.1483 8.71497 11.6195 9.58006 8.81835 7.88519 7.48005 numMergedOcc 0
31 mol 259 unq 2 iso 0 dist 9.69025 11.8501 7.08526 15.1483 8.71497 5.79468 9.58006 8.81835 7.46176 7.48005 numMergedOcc 0
