0 mol 13 unq 0 iso 0 dist 7.68531 8.66515 5.58571 8.54188 8.5226 12.1518 numMergedOcc 0
1 mol 81 unq 0 iso 0 dist 9.78763 7.94697 4.52409 11.2863 6.22059 9.53663 numMergedOcc 0
2 mol 107 unq 0 iso 0 dist 7.06322 4.99934 3.35244 9.06016 8.83855 9.8143 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 5.6738 6.38269 4.62493 12.0115 9.43487 7.96893 numMergedOcc 0
4 mol 113 unq 1 iso 0 dist 5.6738 6.38269 4.62493 13.077 9.97052 12.376 numMergedOcc 0
5 mol 113 unq 2 iso 0 dist 5.6738 6.38269 4.62493 12.0928 7.3324 10.1843 numMergedOcc 0
6 mol 113 unq 3 iso 0 dist 5.6738 7.11196 6.47997 12.0115 9.43487 10.3461 numMergedOcc 0
7 mol 113 unq 4 iso 0 dist 5.6738 7.11196 6.47997 13.077 9.97052 15.0956 numMergedOcc 0
8 mol 113 unq 5 iso 0 dist 5.6738 7.11196 6.47997 12.0928 7.3324 10.8312 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 5.29259 8.18193 9.61655 4.64006 6.8458 10.546 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.12113 6.3646 9.70371 5.90092 9.41415 10.6073 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 9.17864 9.08322 10.3493 9.43335 6.84082 14.347 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 9.17864 9.08322 10.3493 9.71207 8.66256 13.7043 numMergedOcc 0
13 mol 120 unq 2 iso 0 dist 9.17864 9.08322 10.3493 12.1938 8.08194 17.5567 numMergedOcc 0
14 mol 120 unq 3 iso 0 dist 9.17864 9.08322 10.3493 16.9923 9.89622 19.1027 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 6.07578 8.00826 8.3501 7.0159 8.45343 13.457 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 5.99965 8.94445 3.93866 10.0631 9.33272 12.983 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 8.65437 6.15671 9.66765 5.21233 7.03647 9.64364 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 8.55542 7.51951 15.2829 13.1038 9.58747 20.4771 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 8.93788 7.51951 16.0845 10.204 7.01175 16.7099 numMergedOcc 0
20 mol 266 unq 2 iso 0 dist 8.93788 7.51951 16.0845 13.1038 7.50074 20.4771 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 7.64453 7.96707 3.39991 9.99556 6.08044 8.71974 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 7.64453 7.96707 3.39991 7.32623 8.8956 10.3191 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 7.64453 7.96707 3.39991 9.99556 6.08044 8.71974 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 7.64453 7.96707 3.39991 7.32623 8.8956 10.3191 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 7.64453 7.96707 3.39991 9.99556 6.08044 8.71974 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 7.64453 7.96707 3.39991 7.32623 8.8956 10.3191 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 5.43095 4.97488 3.98487 4.49811 8.25719 9.01115 numMergedOcc 0
28 mol 292 unq 1 iso 0 dist 8.46523 8.80146 3.98487 7.24712 8.25719 9.01115 numMergedOcc 0
