0 mol 5 unq 0 iso 0 dist 8.27171 8.82856 7.5807 7.64767 4.33461 9.45855 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 4.78749 8.48944 13.2768 5.42968 10.0962 3.67206 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 4.78749 8.48944 13.2768 5.94343 8.56474 8.93303 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 4.78749 9.04448 10.4819 5.42968 10.0962 9.24731 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 4.78749 9.04448 10.4819 5.94343 8.56474 3.53396 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 4.78749 6.6834 5.61248 5.42968 10.0962 11.1587 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 4.78749 6.6834 5.61248 5.94343 8.56474 8.72577 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 9.23755 7.10218 4.93697 5.98764 13.8547 10.145 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 9.93275 8.56119 4.76634 9.9934 8.68247 6.79809 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 5.84349 7.84956 5.64279 8.6356 7.78168 3.62998 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 5.84349 8.57607 8.32734 8.6356 7.78168 8.96713 numMergedOcc 0
11 mol 95 unq 2 iso 0 dist 5.84349 6.1991 4.79063 8.6356 7.78168 10.6694 numMergedOcc 0
12 mol 95 unq 3 iso 0 dist 5.84349 5.96246 4.05985 8.6356 7.78168 10.3539 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 7.90927 9.16431 5.21593 9.00369 12.4961 10.5665 numMergedOcc 0
14 mol 102 unq 1 iso 0 dist 6.7095 9.16431 10.2581 9.00369 6.04036 10.5665 numMergedOcc 0
15 mol 128 unq 0 iso 0 dist 9.82711 6.6014 7.90985 7.66528 8.12949 8.3147 numMergedOcc 0
16 mol 128 unq 1 iso 0 dist 5.96435 8.88633 7.90985 9.8552 4.17039 10.487 numMergedOcc 0
17 mol 128 unq 2 iso 0 dist 5.96435 8.88633 7.90985 9.40919 8.12949 8.3147 numMergedOcc 0
18 mol 128 unq 3 iso 0 dist 7.94925 6.78833 9.41812 7.12662 9.52999 3.58393 numMergedOcc 0
19 mol 128 unq 4 iso 0 dist 7.94925 6.78833 9.41812 9.38 8.12622 7.73275 numMergedOcc 0
20 mol 130 unq 0 iso 0 dist 8.65807 9.47287 5.23445 6.90456 7.40105 6.99182 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 8.42226 6.04336 5.74718 9.6283 10.2597 5.4547 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 8.42226 9.00537 5.85073 9.6283 10.2597 8.85948 numMergedOcc 0
23 mol 188 unq 0 iso 0 dist 9.88722 8.01604 14.1104 9.81333 14.8075 3.42559 numMergedOcc 0
24 mol 188 unq 1 iso 0 dist 9.88722 9.07006 15.3425 9.81333 14.8075 6.93096 numMergedOcc 0
25 mol 195 unq 0 iso 0 dist 8.3941 8.08491 13.7639 9.33055 16.9491 5.60873 numMergedOcc 0
26 mol 204 unq 0 iso 0 dist 6.58174 7.59666 5.9546 8.47283 9.88337 8.03752 numMergedOcc 0
27 mol 204 unq 1 iso 0 dist 6.58174 6.51936 5.9943 8.47283 9.88337 4.05102 numMergedOcc 0
28 mol 214 unq 0 iso 0 dist 7.24175 6.28826 5.77142 7.93054 9.84398 4.16963 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 8.05254 8.30771 15.7562 8.63808 13.2695 7.75074 numMergedOcc 0
30 mol 250 unq 0 iso 0 dist 5.97672 8.51613 5.16962 6.83662 5.66551 8.71644 numMergedOcc 0
31 mol 260 unq 0 iso 0 dist 7.95918 8.19223 7.37194 4.54064 6.61744 9.98348 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 6.20998 7.30349 10.7368 7.96613 12.2408 13.6742 numMergedOcc 0
33 mol 266 unq 1 iso 0 dist 8.78219 7.30349 15.1414 7.96613 5.34431 13.6742 numMergedOcc 0
34 mol 285 unq 0 iso 0 dist 4.49395 7.12723 5.62841 5.93983 4.57431 3.14843 numMergedOcc 0
