0 mol 39 unq 0 iso 0 dist 9.45639 6.82829 7.33969 12.5913 7.401 6.24515 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 9.45639 8.83903 7.45237 12.5913 7.401 6.47855 numMergedOcc 0
2 mol 39 unq 2 iso 0 dist 5.00126 6.37567 7.33969 9.70029 7.401 6.24515 numMergedOcc 0
3 mol 39 unq 3 iso 0 dist 5.00126 5.92759 7.45237 9.70029 7.401 6.47855 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 9.17045 10.9036 6.99408 15.5531 8.26635 7.21995 numMergedOcc 0
5 mol 45 unq 1 iso 0 dist 9.17045 10.9036 6.99408 19.2824 13.4503 9.62637 numMergedOcc 0
6 mol 45 unq 2 iso 0 dist 6.32012 5.19805 6.99408 10.5379 8.26635 7.21995 numMergedOcc 0
7 mol 45 unq 3 iso 0 dist 6.32012 5.19805 6.99408 14.0326 13.4503 9.62637 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 7.63663 14.4842 7.92394 15.0885 8.34216 9.48582 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 6.10011 10.0721 5.64598 13.2119 8.44406 7.10439 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 8.124 10.0721 4.65521 13.2119 6.56633 7.10439 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 8.41567 7.5192 6.21982 4.73362 4.85247 7.03226 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 5.56964 7.5192 8.19682 4.73362 6.45686 7.03226 numMergedOcc 0
13 mol 76 unq 2 iso 0 dist 6.62246 9.82998 6.21982 7.3795 4.85247 7.03226 numMergedOcc 0
14 mol 79 unq 0 iso 0 dist 6.09906 12.0756 7.87814 12.3642 6.54837 5.9249 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 8.92577 7.38658 8.72704 13.038 10.6245 6.0652 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 9.56324 15.7025 8.72704 18.6089 10.6245 6.0652 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 9.62866 11.5609 6.73814 20.2931 13.7032 9.83981 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 8.97043 11.6637 7.64585 14.9051 6.40494 7.52142 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 8.88255 10.06 9.63176 15.3387 15.5019 7.26955 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 7.27598 7.26771 5.42582 9.95528 5.29786 8.73604 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 5.57904 7.26771 8.6355 9.95528 5.71679 8.73604 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 6.54987 6.63186 7.77454 11.45 11.147 6.93279 numMergedOcc 0
23 mol 140 unq 0 iso 0 dist 9.68229 5.35291 6.95323 10.2706 5.64422 8.60108 numMergedOcc 0
24 mol 141 unq 0 iso 0 dist 7.34465 11.9359 6.93652 13.2114 7.42649 5.26989 numMergedOcc 0
25 mol 141 unq 1 iso 0 dist 7.34465 11.9359 6.93652 17.7174 10.6531 7.76442 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 9.60159 7.35206 8.17891 11.7218 10.9607 7.57454 numMergedOcc 0
27 mol 227 unq 1 iso 0 dist 7.71761 10.1071 8.83563 13.8004 6.67321 9.28891 numMergedOcc 0
28 mol 232 unq 0 iso 0 dist 8.89211 6.12197 7.07392 6.71099 6.2188 7.10413 numMergedOcc 0
29 mol 241 unq 0 iso 0 dist 8.98668 13.6264 6.83797 9.14228 4.90279 8.00537 numMergedOcc 0
30 mol 256 unq 0 iso 0 dist 5.98967 6.25507 5.24676 9.94144 5.28793 7.48269 numMergedOcc 0
31 mol 256 unq 1 iso 0 dist 5.98967 6.25507 5.24676 10.4523 4.99672 6.71249 numMergedOcc 0
32 mol 256 unq 2 iso 0 dist 5.98967 6.25507 5.24676 9.31961 7.7384 9.18903 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 8.57619 5.4536 8.37865 12.8164 8.75685 8.71497 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 6.94113 8.36147 7.50578 14.5778 14.3125 8.92185 numMergedOcc 0
