0 mol 13 unq 0 iso 0 dist 7.68531 8.66515 5.58571 6.6309 11.2227 9.06342 numMergedOcc 0
1 mol 113 unq 0 iso 0 dist 5.6738 6.38269 4.62493 13.5639 10.0434 9.44 numMergedOcc 0
2 mol 113 unq 1 iso 0 dist 5.6738 7.11196 6.47997 13.5639 10.0434 8.47634 numMergedOcc 0
3 mol 123 unq 0 iso 0 dist 8.8413 7.49032 3.21474 4.20645 9.93886 9.72421 numMergedOcc 0
4 mol 123 unq 1 iso 0 dist 8.8413 7.49032 3.21474 9.0296 6.49558 8.35926 numMergedOcc 0
5 mol 123 unq 2 iso 0 dist 7.82124 7.04627 3.21474 6.60637 9.93886 9.72421 numMergedOcc 0
6 mol 123 unq 3 iso 0 dist 7.82124 7.04627 3.21474 6.33531 6.49558 8.35926 numMergedOcc 0
7 mol 176 unq 0 iso 0 dist 9.99263 5.23992 9.45671 9.95833 17.3812 9.81187 numMergedOcc 0
8 mol 176 unq 1 iso 0 dist 9.99263 5.23992 9.45671 3.97723 11.9961 4.67031 numMergedOcc 0
9 mol 176 unq 2 iso 0 dist 9.99263 5.23992 9.45671 6.09521 14.0536 9.49412 numMergedOcc 0
10 mol 176 unq 3 iso 0 dist 9.99263 7.91974 10.3205 9.95833 17.3812 9.71347 numMergedOcc 0
11 mol 176 unq 4 iso 0 dist 9.99263 7.91974 10.3205 3.97723 11.9961 6.20326 numMergedOcc 0
12 mol 176 unq 5 iso 0 dist 9.99263 9.1617 14.6487 9.95833 17.3812 8.77405 numMergedOcc 0
13 mol 176 unq 6 iso 0 dist 9.99263 9.1617 14.6487 3.97723 11.9961 6.8243 numMergedOcc 0
14 mol 253 unq 0 iso 0 dist 5.9811 8.34984 9.47332 5.52102 11.0306 8.58013 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 7.57543 7.51951 8.28959 4.00824 9.42301 9.2684 numMergedOcc 0
16 mol 266 unq 1 iso 0 dist 8.55542 7.51951 15.2829 4.00824 10.7491 9.2684 numMergedOcc 0
17 mol 266 unq 2 iso 0 dist 8.93788 7.51951 16.0845 4.00824 8.89002 9.2684 numMergedOcc 0
18 mol 278 unq 0 iso 0 dist 8.28751 8.69111 3.39646 4.25803 9.00962 7.73107 numMergedOcc 0
19 mol 281 unq 0 iso 0 dist 8.9745 6.22003 5.52172 10.9156 14.0272 9.34464 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 7.64453 7.96707 3.39991 13.5162 8.27165 9.03468 numMergedOcc 0
21 mol 287 unq 1 iso 0 dist 7.64453 7.96707 3.39991 5.22713 8.0077 6.05363 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 7.64453 7.96707 3.39991 13.5162 8.27165 9.03468 numMergedOcc 0
23 mol 288 unq 1 iso 0 dist 7.64453 7.96707 3.39991 5.22713 8.0077 6.05363 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 7.64453 7.96707 3.39991 13.5162 8.27165 9.03468 numMergedOcc 0
25 mol 289 unq 1 iso 0 dist 7.64453 7.96707 3.39991 5.22713 8.0077 6.05363 numMergedOcc 0
26 mol 294 unq 0 iso 0 dist 9.52749 9.14005 15.3439 14.7951 20.1099 8.81999 numMergedOcc 0
27 mol 294 unq 1 iso 0 dist 9.64823 6.82335 9.92253 11.0879 16.2785 8.81999 numMergedOcc 0
28 mol 294 unq 2 iso 0 dist 9.83186 9.14005 9.92253 14.7951 16.2785 8.81999 numMergedOcc 0
