0 mol 13 unq 0 iso 0 dist 9.92193 7.5429 6.79244 5.87938 7.42612 8.59991 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.47617 4.44406 6.09486 14.2755 9.02471 10.4804 numMergedOcc 0
2 mol 81 unq 0 iso 0 dist 8.07716 5.77889 8.57859 3.3881 5.51927 5.70283 numMergedOcc 0
3 mol 81 unq 1 iso 0 dist 8.07716 6.91587 11.453 3.3881 5.51927 7.16741 numMergedOcc 0
4 mol 81 unq 2 iso 0 dist 5.78829 8.22976 8.57859 3.93741 5.51927 5.70283 numMergedOcc 0
5 mol 81 unq 3 iso 0 dist 5.78829 8.9512 11.453 3.93741 5.51927 7.16741 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 8.20009 6.05523 4.98499 8.24077 6.42623 9.43682 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 8.20009 6.05523 4.98499 3.79384 8.95899 8.0564 numMergedOcc 0
8 mol 120 unq 2 iso 0 dist 8.14799 7.81657 4.98499 5.56137 6.42623 9.43682 numMergedOcc 0
9 mol 120 unq 3 iso 0 dist 8.14799 7.81657 4.98499 6.80121 8.95899 8.0564 numMergedOcc 0
10 mol 123 unq 0 iso 0 dist 9.99727 6.49558 9.43434 3.61945 8.111 5.38148 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 9.37459 4.58432 8.18329 10.6933 6.79114 12.0971 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 9.37459 4.58432 8.18329 5.0146 7.59457 7.78215 numMergedOcc 0
13 mol 152 unq 2 iso 0 dist 9.0847 4.58432 5.97115 5.0146 9.00072 7.78215 numMergedOcc 0
14 mol 152 unq 3 iso 0 dist 6.00061 4.58432 4.36394 5.0146 7.55419 7.78215 numMergedOcc 0
15 mol 196 unq 0 iso 0 dist 7.84536 8.76389 9.04037 5.97525 4.67869 9.62205 numMergedOcc 0
16 mol 196 unq 1 iso 0 dist 7.07723 6.78722 9.04037 4.22321 4.67869 9.62205 numMergedOcc 0
17 mol 240 unq 0 iso 0 dist 7.0935 8.87826 11.6095 7.11037 5.77749 12.4025 numMergedOcc 0
18 mol 257 unq 0 iso 0 dist 8.95261 8.13651 8.14464 7.65595 9.6834 8.86142 numMergedOcc 0
19 mol 257 unq 1 iso 0 dist 7.80336 7.70445 8.14464 3.41163 9.6834 8.86142 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 7.45719 9.59851 6.09499 5.12694 8.54108 13.0988 numMergedOcc 0
21 mol 270 unq 0 iso 0 dist 7.05331 9.6554 6.83628 5.81979 8.65354 6.85081 numMergedOcc 0
