0 mol 0 unq 0 iso 0 dist 9.94248 6.48924 6.3267 12.4801 8.34244 6.0597 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 6.94727 11.5096 8.13782 7.0262 7.21995 9.85038 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 6.94727 11.5096 8.13782 11.6776 9.62637 13.1805 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 8.95084 13.4777 9.76285 9.48836 8.58829 4.40229 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 7.8518 6.73491 9.76285 5.2902 8.58829 4.40229 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 7.45683 5.17835 6.98849 10.3064 6.87262 6.15037 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 8.25207 11.0805 9.94276 11.4461 6.51868 6.00607 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 8.25207 11.0805 9.94276 15.3902 7.34698 12.0514 numMergedOcc 0
8 mol 133 unq 3 iso 0 dist 8.25207 5.6216 9.05357 11.4461 6.51868 10.2267 numMergedOcc 0
9 mol 133 unq 4 iso 0 dist 8.25207 5.6216 9.05357 15.3902 7.34698 14.5639 numMergedOcc 0
10 mol 133 unq 5 iso 0 dist 8.25207 11.5803 5.99299 11.4461 6.51868 5.59913 numMergedOcc 0
11 mol 133 unq 6 iso 0 dist 8.25207 11.5803 5.99299 15.3902 7.34698 6.27692 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 8.33489 14.7186 6.4218 5.45341 6.93279 12.2578 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 5.64806 5.84938 6.51096 12.2591 9.0529 7.6506 numMergedOcc 0
14 mol 155 unq 1 iso 0 dist 5.64806 9.52867 8.73171 12.2591 9.0529 6.00473 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 8.47477 5.74389 6.90155 8.70841 5.81122 10.143 numMergedOcc 0
16 mol 156 unq 1 iso 0 dist 8.57453 4.95416 6.90155 11.3928 5.81122 10.143 numMergedOcc 0
17 mol 173 unq 0 iso 0 dist 9.25763 5.56282 9.79554 15.3501 8.41245 12.6533 numMergedOcc 0
18 mol 173 unq 1 iso 0 dist 9.25763 5.56282 9.79554 15.5823 6.64779 15.1434 numMergedOcc 0
19 mol 173 unq 2 iso 0 dist 9.63102 7.17381 9.79554 15.9805 8.41245 12.6533 numMergedOcc 0
20 mol 173 unq 3 iso 0 dist 9.63102 7.17381 9.79554 14.7982 6.64779 15.1434 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 8.34104 9.63564 7.95168 5.75236 7.57454 9.75331 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 7.29546 10.2924 7.27958 11.1737 6.54825 10.1944 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 5.73804 9.73112 7.25543 11.6736 7.02079 7.4465 numMergedOcc 0
24 mol 239 unq 1 iso 0 dist 5.73804 9.73112 7.25543 5.20078 5.88802 6.76677 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 8.33004 5.50007 8.49866 12.3614 9.20749 11.0599 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 5.42845 4.05661 8.49866 10.6481 9.20749 11.0599 numMergedOcc 0
27 mol 274 unq 2 iso 0 dist 5.62484 7.47324 8.49866 7.09841 9.20749 11.0599 numMergedOcc 0
