0 mol 16 unq 0 iso 0 dist 8.62634 4.94804 9.31149 5.1333 5.36911 4.74317 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 9.5663 12.6498 6.08228 5.40109 9.23947 11.3115 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.23755 12.5791 8.4438 15.0981 6.82707 7.94629 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 8.98532 12.3568 9.56884 10.2731 6.15654 7.21296 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 8.98532 12.3568 9.56884 4.66752 7.89887 9.18931 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 8.98532 5.38868 8.67865 10.2731 6.15654 9.52463 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 8.98532 5.38868 8.67865 4.66752 7.89887 6.07224 numMergedOcc 0
7 mol 92 unq 4 iso 0 dist 8.98532 5.80362 8.40148 10.2731 6.15654 9.30089 numMergedOcc 0
8 mol 92 unq 5 iso 0 dist 8.98532 5.80362 8.40148 4.66752 7.89887 5.77554 numMergedOcc 0
9 mol 102 unq 0 iso 0 dist 6.7095 13.457 8.63522 11.7136 9.2062 6.69798 numMergedOcc 0
10 mol 102 unq 1 iso 0 dist 6.7095 10.8385 5.43401 11.7136 9.2062 5.6591 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 7.11102 15.1019 9.95726 11.6661 7.81731 4.69874 numMergedOcc 0
12 mol 126 unq 0 iso 0 dist 9.40595 14.8513 7.25133 4.55333 6.62527 11.5654 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 8.3097 11.948 8.56593 14.894 8.71007 4.8653 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 6.85063 6.69773 9.13646 4.11976 8.40219 7.24469 numMergedOcc 0
15 mol 165 unq 0 iso 0 dist 7.22838 14.3514 9.59989 6.77685 5.79029 9.33914 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 5.60195 8.66923 7.86207 7.03806 7.46122 4.39102 numMergedOcc 0
17 mol 220 unq 1 iso 0 dist 7.87359 5.3178 7.86207 4.69654 7.46122 4.39102 numMergedOcc 0
18 mol 226 unq 0 iso 0 dist 6.3687 12.3798 7.20862 6.62409 5.3747 8.58832 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 8.76741 10.5773 6.91184 13.2515 9.62583 4.98219 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 5.46484 8.95567 7.6402 5.69026 8.88405 8.43621 numMergedOcc 0
21 mol 236 unq 1 iso 0 dist 5.46484 8.95567 7.6402 8.22446 7.13854 6.96377 numMergedOcc 0
22 mol 236 unq 2 iso 0 dist 8.80671 5.98568 7.6402 11.4601 8.88405 8.43621 numMergedOcc 0
23 mol 236 unq 3 iso 0 dist 8.80671 5.98568 7.6402 6.4298 7.13854 6.96377 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 8.49961 13.8894 8.34832 9.7952 6.91534 15.1473 numMergedOcc 0
25 mol 239 unq 1 iso 0 dist 8.49961 13.8894 8.34832 10.1967 8.67704 16.5164 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 9.66298 17.0555 9.70222 11.7392 6.45102 5.48108 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 9.46926 11.7148 8.61786 15.6565 9.54381 5.4894 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 9.46926 7.8329 8.42706 15.6565 9.54381 15.3099 numMergedOcc 0
29 mol 280 unq 0 iso 0 dist 8.64546 12.2581 8.57733 10.8277 7.42529 11.1898 numMergedOcc 0
30 mol 280 unq 1 iso 0 dist 8.64546 16.0615 9.05509 10.8277 7.42529 11.0648 numMergedOcc 0
31 mol 280 unq 2 iso 0 dist 3.97964 8.4621 8.57733 5.51019 7.42529 11.1898 numMergedOcc 0
32 mol 280 unq 3 iso 0 dist 3.97964 10.5502 9.05509 5.51019 7.42529 11.0648 numMergedOcc 0
33 mol 280 unq 4 iso 0 dist 4.55639 7.07259 6.83927 5.92566 8.47055 4.6462 numMergedOcc 0
34 mol 280 unq 5 iso 0 dist 7.72152 10.1323 6.83927 10.0297 8.47055 4.6462 numMergedOcc 0
