0 mol 24 unq 0 iso 0 dist 5.85737 6.88453 8.0319 13.0211 11.4109 6.86014 13.8202 9.97498 9.75144 5.39241 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.84944 14.9082 8.03754 22.5146 14.0204 8.80331 17.3158 10.1053 9.83618 10.4442 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.84944 14.9082 8.03754 19.6842 13.1056 6.20293 17.3158 10.1053 9.83618 9.49077 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 7.21995 4.80528 8.03754 12.8866 14.0204 8.80331 13.4284 10.1053 9.83618 10.4442 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 7.21995 4.80528 8.03754 10.6604 13.1056 6.20293 13.4284 10.1053 9.83618 9.49077 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 8.8795 10.0338 8.44473 16.1999 11.2947 6.65721 16.8472 10.8911 8.76003 5.83489 numMergedOcc 0
6 mol 61 unq 1 iso 0 dist 8.8795 10.0338 8.44473 12.1145 4.78811 6.72123 16.8472 10.8911 8.76003 7.39396 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 8.52643 15.4665 8.75668 15.3102 7.26966 9.67592 11.4891 4.97497 8.68586 5.3948 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 5.41357 9.95527 8.75668 12.3873 7.26966 9.67592 8.64746 4.97497 8.68586 5.3948 numMergedOcc 0
9 mol 75 unq 0 iso 0 dist 8.25597 5.56574 9.20448 13.0751 14.2474 7.79912 8.26819 8.88127 5.15851 10.0425 numMergedOcc 0
10 mol 75 unq 1 iso 0 dist 8.25597 5.56574 9.20448 12.1692 12.103 8.56639 8.26819 8.88127 5.15851 11.8774 numMergedOcc 0
11 mol 75 unq 2 iso 0 dist 8.25597 5.56574 9.20448 10.0315 5.76778 8.59017 8.26819 8.88127 5.15851 10.0372 numMergedOcc 0
12 mol 75 unq 3 iso 0 dist 4.76466 5.56574 6.96759 13.0751 13.8905 7.79912 8.26819 6.78257 5.15851 10.0425 numMergedOcc 0
13 mol 75 unq 4 iso 0 dist 4.76466 5.56574 6.96759 12.1692 12.899 8.56639 8.26819 6.78257 5.15851 11.8774 numMergedOcc 0
14 mol 75 unq 5 iso 0 dist 4.76466 5.56574 6.96759 10.0315 8.41332 8.59017 8.26819 6.78257 5.15851 10.0372 numMergedOcc 0
15 mol 75 unq 6 iso 0 dist 8.67172 5.56574 6.97318 13.0751 11.2774 7.79912 8.26819 4.7798 5.15851 10.0425 numMergedOcc 0
16 mol 75 unq 7 iso 0 dist 8.67172 5.56574 6.97318 12.1692 11.0206 8.56639 8.26819 4.7798 5.15851 11.8774 numMergedOcc 0
17 mol 75 unq 8 iso 0 dist 8.67172 5.56574 6.97318 10.0315 6.56982 8.59017 8.26819 4.7798 5.15851 10.0372 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 8.15664 6.09495 7.11695 10.869 14.4144 9.33898 6.00131 6.85223 8.36431 10.9701 numMergedOcc 0
19 mol 92 unq 1 iso 0 dist 8.15664 6.09495 7.11695 14.4679 9.54167 9.64443 6.00131 6.85223 8.36431 12.4284 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 9.33293 9.48465 7.9258 16.9836 10.9791 9.33865 15.6542 10.8105 7.76729 10.7942 numMergedOcc 0
21 mol 115 unq 1 iso 0 dist 9.33293 9.48465 7.9258 9.71126 4.75197 5.83991 15.6542 10.8105 7.76729 10.9739 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 8.8353 17.2988 9.47554 10.614 5.34829 7.11802 11.8194 6.61857 7.92688 4.68409 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 8.8353 17.2988 9.47554 15.7117 9.67676 8.00618 11.8194 6.61857 7.92688 12.2037 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 9.65031 14.069 8.41774 21.5408 13.1435 8.56324 19.2222 10.8622 9.13561 5.99333 numMergedOcc 0
25 mol 152 unq 1 iso 0 dist 9.65031 14.069 8.41774 19.3797 13.793 6.70283 19.2222 10.8622 9.13561 8.25411 numMergedOcc 0
26 mol 152 unq 2 iso 0 dist 9.65031 14.069 8.41774 15.7694 11.2124 7.16148 19.2222 10.8622 9.13561 7.89109 numMergedOcc 0
27 mol 152 unq 3 iso 0 dist 8.51844 4.46956 8.41774 12.7437 13.1435 8.56324 13.2468 10.8622 9.13561 5.99333 numMergedOcc 0
28 mol 152 unq 4 iso 0 dist 8.51844 4.46956 8.41774 10.5594 13.793 6.70283 13.2468 10.8622 9.13561 8.25411 numMergedOcc 0
29 mol 152 unq 5 iso 0 dist 8.51844 4.46956 8.41774 10.166 11.2124 7.16148 13.2468 10.8622 9.13561 7.89109 numMergedOcc 0
30 mol 204 unq 0 iso 0 dist 9.52029 18.5654 9.44947 16.9329 10.5243 7.10633 20.3913 12.7783 5.90931 5.09262 numMergedOcc 0
31 mol 204 unq 1 iso 0 dist 9.52029 18.5654 9.44947 17.8571 10.2677 8.51516 20.3913 12.7783 5.90931 12.9483 numMergedOcc 0
32 mol 220 unq 0 iso 0 dist 5.25149 6.19375 5.39218 15.0279 13.3213 9.23153 12.6808 9.46015 6.84247 6.7067 numMergedOcc 0
33 mol 220 unq 1 iso 0 dist 5.25149 6.19375 5.39218 15.0279 13.3213 9.23153 5.00266 4.51612 6.99002 15.9568 numMergedOcc 0
34 mol 220 unq 2 iso 0 dist 5.25149 6.19375 5.39218 13.2107 11.4842 8.24498 12.6808 9.46015 6.84247 6.05129 numMergedOcc 0
35 mol 220 unq 3 iso 0 dist 5.25149 6.19375 5.39218 13.2107 11.4842 8.24498 5.00266 4.51612 6.99002 11.1321 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 6.23677 6.87755 7.49783 12.2287 12.8561 8.95269 8.76325 4.76056 7.06793 9.36098 numMergedOcc 0
37 mol 224 unq 1 iso 0 dist 6.23677 6.87755 7.49783 12.2287 12.8561 8.95269 12.0468 10.7068 6.67585 5.29877 numMergedOcc 0
38 mol 224 unq 2 iso 0 dist 9.04741 12.3271 7.49783 16.6527 12.8561 8.95269 12.4794 4.76056 7.06793 9.36098 numMergedOcc 0
39 mol 224 unq 3 iso 0 dist 9.04741 12.3271 7.49783 16.6527 12.8561 8.95269 17.0348 10.7068 6.67585 5.29877 numMergedOcc 0
40 mol 224 unq 4 iso 0 dist 7.31608 11.0252 7.49783 12.7763 12.8561 8.95269 8.85101 4.76056 7.06793 9.36098 numMergedOcc 0
41 mol 224 unq 5 iso 0 dist 7.31608 11.0252 7.49783 12.7763 12.8561 8.95269 13.64 10.7068 6.67585 5.29877 numMergedOcc 0
42 mol 236 unq 0 iso 0 dist 4.71683 7.77821 7.87233 12.96 15.6279 9.81562 5.77356 4.71339 5.34718 11.8759 numMergedOcc 0
43 mol 236 unq 1 iso 0 dist 4.71683 7.77821 7.87233 10.8312 13.7246 7.68742 5.77356 4.71339 5.34718 11.3552 numMergedOcc 0
44 mol 236 unq 2 iso 0 dist 4.71683 7.77821 7.87233 11.2195 10.5269 6.27581 5.77356 4.71339 5.34718 6.04825 numMergedOcc 0
45 mol 239 unq 0 iso 0 dist 8.46734 6.03322 6.43546 11.9377 5.54495 7.00034 12.8792 10.9732 7.20082 7.04058 numMergedOcc 0
46 mol 277 unq 0 iso 0 dist 6.66936 7.44724 4.81916 14.2462 7.94155 9.7748 12.4404 6.20663 9.41725 6.58374 numMergedOcc 0
47 mol 277 unq 1 iso 0 dist 8.15119 5.77904 4.81916 8.35794 7.94155 9.7748 11.7564 6.20663 9.41725 6.58374 numMergedOcc 0
