0 mol 13 unq 0 iso 0 dist 9.92193 7.5429 6.79244 5.87938 7.42612 8.59991 numMergedOcc 0
1 mol 81 unq 0 iso 0 dist 8.07716 5.77889 8.57859 3.88746 10.955 7.15043 numMergedOcc 0
2 mol 81 unq 1 iso 0 dist 8.07716 5.77889 8.57859 3.3881 5.51927 5.70283 numMergedOcc 0
3 mol 81 unq 2 iso 0 dist 8.07716 6.91587 11.453 3.88746 10.955 5.86142 numMergedOcc 0
4 mol 81 unq 3 iso 0 dist 8.07716 6.91587 11.453 3.3881 5.51927 7.16741 numMergedOcc 0
5 mol 81 unq 4 iso 0 dist 5.78829 8.22976 8.57859 7.86537 10.955 7.15043 numMergedOcc 0
6 mol 81 unq 5 iso 0 dist 5.78829 8.22976 8.57859 3.93741 5.51927 5.70283 numMergedOcc 0
7 mol 81 unq 6 iso 0 dist 5.78829 8.9512 11.453 7.86537 10.955 5.86142 numMergedOcc 0
8 mol 81 unq 7 iso 0 dist 5.78829 8.9512 11.453 3.93741 5.51927 7.16741 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 8.20009 6.05523 4.98499 8.24077 6.42623 9.43682 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 8.20009 6.05523 4.98499 3.79384 8.95899 8.0564 numMergedOcc 0
11 mol 120 unq 2 iso 0 dist 8.14799 7.81657 4.98499 5.56137 6.42623 9.43682 numMergedOcc 0
12 mol 120 unq 3 iso 0 dist 8.14799 7.81657 4.98499 6.80121 8.95899 8.0564 numMergedOcc 0
13 mol 123 unq 0 iso 0 dist 9.99727 6.49558 9.43434 5.85997 12.3048 8.20345 numMergedOcc 0
14 mol 123 unq 1 iso 0 dist 9.99727 6.49558 9.43434 3.61945 8.111 5.38148 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 9.37459 4.58432 8.18329 5.0146 7.59457 7.78215 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 9.0847 4.58432 5.97115 5.0146 9.00072 7.78215 numMergedOcc 0
17 mol 152 unq 2 iso 0 dist 6.00061 4.58432 4.36394 5.0146 7.55419 7.78215 numMergedOcc 0
18 mol 152 unq 3 iso 0 dist 8.33302 4.58432 5.96803 5.0146 12.1307 7.78215 numMergedOcc 0
19 mol 196 unq 0 iso 0 dist 4.97115 5.66536 10.1657 11.1258 14.1918 9.96986 numMergedOcc 0
20 mol 196 unq 1 iso 0 dist 9.45804 5.66536 11.4143 11.1258 19.8649 9.96986 numMergedOcc 0
21 mol 196 unq 2 iso 0 dist 9.8486 5.66536 8.29433 11.1258 16.7164 9.96986 numMergedOcc 0
22 mol 196 unq 3 iso 0 dist 7.23126 5.66536 3.98793 11.1258 12.511 9.96986 numMergedOcc 0
23 mol 196 unq 4 iso 0 dist 7.82805 6.55775 3.98793 5.29582 12.511 9.96986 numMergedOcc 0
24 mol 197 unq 0 iso 0 dist 9.14737 7.36576 4.91336 14.8544 10.2521 9.10527 numMergedOcc 0
25 mol 257 unq 0 iso 0 dist 8.95261 8.13651 8.14464 7.65595 9.6834 8.86142 numMergedOcc 0
26 mol 257 unq 1 iso 0 dist 7.80336 7.70445 8.14464 3.41163 9.6834 8.86142 numMergedOcc 0
27 mol 270 unq 0 iso 0 dist 7.05331 9.6554 6.83628 5.81979 8.65354 6.85081 numMergedOcc 0
28 mol 278 unq 0 iso 0 dist 9.65332 9.88046 7.41825 6.31745 13.2704 9.68335 numMergedOcc 0
