0 mol 44 unq 0 iso 0 dist 9.16551 8.1394 7.85573 14.2438 9.64095 7.42925 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 9.00513 8.50057 9.67403 17.4013 17.1697 9.32664 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 8.64665 4.57882 9.67403 13.7412 17.1697 9.32664 numMergedOcc 0
3 mol 61 unq 2 iso 0 dist 9.42869 4.57882 7.28917 13.7412 10.4547 9.32664 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 8.54119 10.2511 7.89201 8.01382 3.72318 9.22331 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 5.16558 5.23343 6.23298 11.6307 7.29309 9.30836 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 5.16558 5.23343 6.23298 7.98453 4.31746 6.58279 numMergedOcc 0
7 mol 67 unq 2 iso 0 dist 9.62459 5.23343 9.85405 11.6307 7.83316 9.30836 numMergedOcc 0
8 mol 67 unq 3 iso 0 dist 9.62459 5.23343 9.85405 7.98453 7.58981 6.58279 numMergedOcc 0
9 mol 108 unq 0 iso 0 dist 8.69068 6.97518 5.52402 12.2681 5.97199 6.80069 numMergedOcc 0
10 mol 108 unq 1 iso 0 dist 8.89997 5.53449 6.79804 11.0576 6.62194 6.80069 numMergedOcc 0
11 mol 124 unq 0 iso 0 dist 8.48985 9.35084 7.83509 10.1598 7.34966 8.18186 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.86691 5.48547 6.85651 12.1937 14.4497 8.70392 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 6.65932 10.5926 6.95914 15.7311 13.2639 7.35385 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 6.65932 10.5926 6.95914 11.5392 10.9097 8.35864 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 6.28769 5.54447 6.00651 10.2419 7.38323 5.08863 numMergedOcc 0
16 mol 147 unq 1 iso 0 dist 6.28769 3.87868 8.52428 9.29523 6.78733 9.21191 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 8.53483 18.0876 9.92635 16.1471 8.96895 5.5781 numMergedOcc 0
18 mol 183 unq 1 iso 0 dist 8.58404 13.2035 9.92635 14.2158 8.96895 5.5781 numMergedOcc 0
19 mol 183 unq 2 iso 0 dist 8.1126 13.2035 7.85507 14.2158 6.57004 5.5781 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 8.93002 4.98212 5.98006 10.7258 5.61261 9.69025 numMergedOcc 0
21 mol 265 unq 0 iso 0 dist 9.83854 12.5955 6.98812 19.1869 10.7881 7.49913 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 7.98579 7.68028 4.75866 11.4634 4.34346 6.12347 numMergedOcc 0
23 mol 279 unq 1 iso 0 dist 7.98579 7.68028 4.75866 15.8875 11.8793 8.79637 numMergedOcc 0
24 mol 294 unq 0 iso 0 dist 8.88961 7.11058 5.27236 8.83246 7.33654 6.1268 numMergedOcc 0
