0 mol 13 unq 0 iso 0 dist 9.92193 5.87938 7.42612 7.5429 6.79244 8.59991 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 9.37524 6.94096 9.83836 11.1286 6.14227 9.60811 numMergedOcc 0
2 mol 81 unq 0 iso 0 dist 8.07716 3.3881 5.51927 5.77889 8.57859 5.70283 numMergedOcc 0
3 mol 81 unq 1 iso 0 dist 8.07716 3.3881 5.51927 6.91587 11.453 7.16741 numMergedOcc 0
4 mol 81 unq 2 iso 0 dist 5.78829 3.93741 5.51927 8.22976 8.57859 5.70283 numMergedOcc 0
5 mol 81 unq 3 iso 0 dist 5.78829 3.93741 5.51927 8.9512 11.453 7.16741 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 7.42431 5.56913 5.98809 10.8985 6.3561 7.24101 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 9.57352 7.68828 8.99912 10.0434 10.3188 6.13175 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 8.20009 8.24077 6.42623 6.05523 4.98499 9.43682 numMergedOcc 0
9 mol 120 unq 1 iso 0 dist 8.20009 3.79384 8.95899 6.05523 4.98499 8.0564 numMergedOcc 0
10 mol 120 unq 2 iso 0 dist 8.14799 5.56137 6.42623 7.81657 4.98499 9.43682 numMergedOcc 0
11 mol 120 unq 3 iso 0 dist 8.14799 6.80121 8.95899 7.81657 4.98499 8.0564 numMergedOcc 0
12 mol 123 unq 0 iso 0 dist 9.99727 3.61945 8.111 10.1197 15.1597 8.24171 numMergedOcc 0
13 mol 123 unq 1 iso 0 dist 9.99727 3.61945 8.111 6.49558 9.43434 5.38148 numMergedOcc 0
14 mol 123 unq 2 iso 0 dist 9.99727 3.61945 8.111 10.0457 9.21204 6.63094 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 9.37459 5.0146 7.59457 11.405 14.4437 9.981 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 9.37459 5.0146 7.59457 4.58432 8.18329 7.78215 numMergedOcc 0
17 mol 152 unq 2 iso 0 dist 9.0847 5.0146 9.00072 11.405 17.8807 9.981 numMergedOcc 0
18 mol 152 unq 3 iso 0 dist 9.0847 5.0146 9.00072 4.58432 5.97115 7.78215 numMergedOcc 0
19 mol 152 unq 4 iso 0 dist 6.00061 5.0146 7.55419 11.405 13.3193 9.981 numMergedOcc 0
20 mol 152 unq 5 iso 0 dist 6.00061 5.0146 7.55419 4.58432 4.36394 7.78215 numMergedOcc 0
21 mol 178 unq 0 iso 0 dist 7.14849 8.84201 4.72821 10.8062 4.43082 6.53017 numMergedOcc 0
22 mol 178 unq 1 iso 0 dist 8.63718 7.09333 4.72821 10.5649 4.43082 6.53017 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.16369 12.0957 5.90765 18.4399 10.2942 9.64977 numMergedOcc 0
24 mol 257 unq 0 iso 0 dist 8.95261 7.65595 9.6834 8.13651 8.14464 8.86142 numMergedOcc 0
25 mol 257 unq 1 iso 0 dist 7.80336 3.41163 9.6834 7.70445 8.14464 8.86142 numMergedOcc 0
26 mol 270 unq 0 iso 0 dist 7.05331 5.81979 8.65354 9.6554 6.83628 6.85081 numMergedOcc 0
