0 mol 56 unq 0 iso 0 dist 9.52763 3.63144 9.78973 7.20538 7.91078 7.16773 6.93876 14.838 6.63327 8.66265 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.93688 12.656 7.44343 11.0291 11.8037 6.95572 4.71849 9.514 9.50382 7.4729 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 9.93688 12.656 7.44343 11.0291 11.8037 6.95572 13.6329 13.0248 7.56363 6.82344 numMergedOcc 0
3 mol 92 unq 2 iso 0 dist 9.88184 14.9487 7.44343 16.1796 11.8037 6.95572 9.24395 9.514 9.50382 7.4729 numMergedOcc 0
4 mol 92 unq 3 iso 0 dist 9.88184 14.9487 7.44343 16.1796 11.8037 6.95572 16.1863 13.0248 7.56363 6.82344 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 9.44788 6.49348 5.58734 6.18763 6.83988 8.00003 5.3154 12.1173 10.4376 6.18601 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 5.46716 6.3462 5.75595 13.375 11.2897 7.78652 12.7468 11.3921 6.48978 5.99315 numMergedOcc 0
7 mol 205 unq 0 iso 0 dist 6.09754 8.35349 6.05667 9.90206 6.4623 5.44002 15.7148 10.156 10.3603 7.26832 numMergedOcc 0
8 mol 227 unq 0 iso 0 dist 6.14732 4.21811 8.61546 11.3366 14.5234 7.43071 8.65229 10.2913 6.00424 9.34734 numMergedOcc 0
9 mol 227 unq 1 iso 0 dist 6.14732 4.21811 8.61546 11.3366 14.5234 7.43071 9.9474 14.5974 6.35849 7.22101 numMergedOcc 0
10 mol 227 unq 2 iso 0 dist 6.14732 4.21811 8.61546 11.3366 14.5234 7.43071 14.0536 17.402 10.204 8.65997 numMergedOcc 0
11 mol 227 unq 3 iso 0 dist 6.14732 4.21811 8.61546 11.3366 14.5234 7.43071 13.0161 13.1699 9.76735 7.56888 numMergedOcc 0
12 mol 227 unq 4 iso 0 dist 6.14732 4.21811 8.61546 11.3366 14.5234 7.43071 11.8065 11.3667 9.32448 7.55216 numMergedOcc 0
13 mol 227 unq 5 iso 0 dist 6.14732 4.21811 8.61546 9.07872 13.552 6.02296 9.9474 14.5974 6.35849 7.09863 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 6.11539 6.70882 6.23146 11.3046 13.6402 9.05071 5.62354 9.36645 8.80479 8.27212 numMergedOcc 0
15 mol 232 unq 1 iso 0 dist 9.71082 14.3107 6.23146 17.5091 13.6402 9.05071 9.70835 9.36645 8.80479 8.27212 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 8.88613 13.1619 6.20377 19.8516 12.3562 9.55668 19.9084 11.5033 7.60081 5.4638 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 7.279 4.20164 4.68783 6.37672 9.82483 5.48118 9.07501 15.3404 10.7772 7.57994 numMergedOcc 0
18 mol 249 unq 1 iso 0 dist 7.279 4.20164 4.68783 6.37672 9.82483 5.48118 4.24014 11.128 7.04666 6.18582 numMergedOcc 0
19 mol 249 unq 2 iso 0 dist 8.43448 5.93404 4.68783 8.94023 9.82483 5.48118 9.53929 15.3404 10.7772 7.57994 numMergedOcc 0
20 mol 249 unq 3 iso 0 dist 8.43448 5.93404 4.68783 8.94023 9.82483 5.48118 5.36989 11.128 7.04666 6.18582 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 5.98006 5.61261 9.69025 8.06771 5.71237 7.98231 6.64729 6.77279 8.41846 8.13497 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 5.98006 5.61261 9.69025 8.06771 5.71237 7.98231 9.79538 9.58006 8.81835 7.88519 numMergedOcc 0
23 mol 259 unq 2 iso 0 dist 5.98006 5.61261 9.69025 11.1503 11.8501 7.08526 9.79538 9.58006 8.81835 7.46176 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 8.14634 5.15747 9.02661 12.6706 17.306 8.52587 9.85454 12.0331 5.29529 7.56915 numMergedOcc 0
