0 mol 39 unq 0 iso 0 dist 9.45639 6.82829 7.33969 5.34459 8.70192 6.58458 12.5913 7.401 6.24515 11.3405 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 9.45639 8.83903 7.45237 5.34459 8.70192 10.5834 12.5913 7.401 6.47855 11.3405 numMergedOcc 0
2 mol 39 unq 2 iso 0 dist 5.00126 6.37567 7.33969 7.71511 8.70192 6.58458 9.70029 7.401 6.24515 11.3405 numMergedOcc 0
3 mol 39 unq 3 iso 0 dist 5.00126 5.92759 7.45237 7.71511 8.70192 10.5834 9.70029 7.401 6.47855 11.3405 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 9.17045 10.9036 6.99408 6.3858 5.94756 4.51883 15.5531 8.26635 7.21995 10.1089 numMergedOcc 0
5 mol 45 unq 1 iso 0 dist 9.17045 10.9036 6.99408 6.3858 5.94756 4.51883 19.2824 13.4503 9.62637 13.3858 numMergedOcc 0
6 mol 45 unq 2 iso 0 dist 6.32012 5.19805 6.99408 5.52643 5.94756 4.51883 10.5379 8.26635 7.21995 10.1089 numMergedOcc 0
7 mol 45 unq 3 iso 0 dist 6.32012 5.19805 6.99408 5.52643 5.94756 4.51883 14.0326 13.4503 9.62637 13.3858 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.124 10.0721 4.65521 15.7072 8.68662 6.10063 13.2119 6.56633 7.10439 8.96616 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 8.124 10.0721 4.65521 15.2252 7.4369 6.15714 13.2119 6.56633 7.10439 6.14542 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 8.41567 7.5192 6.21982 6.65453 6.72869 4.00608 4.73362 4.85247 7.03226 7.46095 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 5.56964 7.5192 8.19682 6.65453 9.85905 4.00608 4.73362 6.45686 7.03226 7.46095 numMergedOcc 0
12 mol 76 unq 2 iso 0 dist 6.62246 9.82998 6.21982 7.15288 6.72869 4.00608 7.3795 4.85247 7.03226 7.46095 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 8.92577 7.38658 8.72704 10.5559 7.82475 12.5061 13.038 10.6245 6.0652 14.2784 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 8.92577 7.38658 8.72704 11.1947 5.35782 12.1093 13.038 10.6245 6.0652 13.2583 numMergedOcc 0
15 mol 100 unq 2 iso 0 dist 9.56324 15.7025 8.72704 15.353 7.82475 12.5061 18.6089 10.6245 6.0652 14.2784 numMergedOcc 0
16 mol 100 unq 3 iso 0 dist 9.56324 15.7025 8.72704 12.9628 5.35782 12.1093 18.6089 10.6245 6.0652 13.2583 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 9.62866 11.5609 6.73814 6.76872 5.7144 4.81369 20.2931 13.7032 9.83981 13.8288 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 8.97043 11.6637 7.64585 7.34308 6.39384 5.65471 14.9051 6.40494 7.52142 10.2171 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 7.27598 7.26771 5.42582 4.70162 9.33924 6.0991 9.95528 5.29786 8.73604 12.2587 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 7.27598 7.26771 5.42582 12.487 7.93372 5.67107 9.95528 5.29786 8.73604 9.0176 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 7.34465 11.9359 6.93652 11.1983 8.07097 4.22522 13.2114 7.42649 5.26989 5.29898 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 7.34465 11.9359 6.93652 11.1983 8.07097 4.22522 17.7174 10.6531 7.76442 10.5285 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 9.60159 7.35206 8.17891 5.19262 5.23634 4.09934 11.7218 10.9607 7.57454 8.91971 numMergedOcc 0
24 mol 241 unq 0 iso 0 dist 8.98668 13.6264 6.83797 5.65355 7.95042 12.0248 9.14228 4.90279 8.00537 10.8022 numMergedOcc 0
