0 mol 7 unq 0 iso 0 dist 5.72491 10.515 7.45262 7.12508 8.15894 7.92429 8.72114 10.1959 9.97624 11.2901 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.88043 6.06176 7.45262 12.8323 8.15894 7.92429 10.3148 10.1959 9.97624 11.2901 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.80762 6.06176 6.96586 12.8323 8.45544 7.92429 10.3148 13.9514 9.97624 11.2901 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 9.78006 5.60154 8.04924 5.84314 7.05919 3.91075 9.62394 7.28672 9.57198 10.9352 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 5.69955 9.87119 7.61055 8.25132 6.73167 10.267 10.177 5.30297 7.3022 6.07276 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 5.69955 9.87119 7.61055 4.94205 7.40948 6.77624 10.177 5.30297 7.3022 10.6018 numMergedOcc 0
6 mol 26 unq 2 iso 0 dist 8.6385 4.74747 7.61055 7.73394 6.73167 10.267 7.36856 5.30297 7.3022 6.07276 numMergedOcc 0
7 mol 26 unq 3 iso 0 dist 8.6385 4.74747 7.61055 7.42064 7.40948 6.77624 7.36856 5.30297 7.3022 10.6018 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 5.72642 11.7126 9.9928 5.03039 8.4965 13.2709 12.13 9.18958 5.60389 15.3664 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 7.25673 6.01455 7.88655 4.78563 8.612 4.38322 7.78652 6.60479 6.46089 5.06564 numMergedOcc 0
10 mol 158 unq 0 iso 0 dist 7.88319 6.63727 6.39981 13.7172 6.11331 9.88872 10.1759 10.3886 9.6096 12.8033 numMergedOcc 0
11 mol 159 unq 0 iso 0 dist 7.25742 4.57561 7.13269 4.48323 6.07821 4.27525 8.4858 7.97232 5.9032 9.35202 numMergedOcc 0
12 mol 188 unq 0 iso 0 dist 8.57261 12.0548 7.48284 9.71636 7.79115 6.39872 8.10214 5.87427 9.33696 11.506 numMergedOcc 0
13 mol 194 unq 0 iso 0 dist 6.26839 15.9311 9.77862 10.0756 5.53324 8.31541 12.4952 7.50057 9.3402 9.64441 numMergedOcc 0
14 mol 194 unq 1 iso 0 dist 6.26839 15.9311 9.77862 11.8031 6.72182 6.72001 12.4952 7.50057 9.3402 9.00322 numMergedOcc 0
15 mol 194 unq 2 iso 0 dist 8.12346 13.7758 9.77862 10.2793 5.53324 8.31541 15.1649 7.50057 9.3402 9.64441 numMergedOcc 0
16 mol 194 unq 3 iso 0 dist 8.12346 13.7758 9.77862 9.09233 6.72182 6.72001 15.1649 7.50057 9.3402 9.00322 numMergedOcc 0
17 mol 194 unq 4 iso 0 dist 8.83356 5.38925 9.77862 10.463 5.53324 8.31541 6.72379 7.50057 9.3402 9.64441 numMergedOcc 0
18 mol 194 unq 5 iso 0 dist 8.83356 5.38925 9.77862 4.66791 6.72182 6.72001 6.72379 7.50057 9.3402 9.00322 numMergedOcc 0
19 mol 194 unq 6 iso 0 dist 8.2654 14.2415 9.77862 12.8494 5.53324 8.31541 13.2138 7.50057 9.3402 9.64441 numMergedOcc 0
20 mol 194 unq 7 iso 0 dist 8.2654 14.2415 9.77862 7.73551 6.72182 6.72001 13.2138 7.50057 9.3402 9.00322 numMergedOcc 0
21 mol 195 unq 0 iso 0 dist 6.60567 13.6975 9.79691 5.41635 6.34234 10.5776 17.8873 11.4252 9.82588 15.9401 numMergedOcc 0
22 mol 195 unq 1 iso 0 dist 6.60567 13.6975 9.79691 11.9954 7.87972 4.18074 17.8873 11.4252 9.82588 9.24936 numMergedOcc 0
23 mol 195 unq 2 iso 0 dist 7.62942 6.08211 9.79691 6.04871 6.34234 10.5776 11.9628 11.4252 9.82588 15.9401 numMergedOcc 0
24 mol 195 unq 3 iso 0 dist 7.62942 6.08211 9.79691 8.04534 7.87972 4.18074 11.9628 11.4252 9.82588 9.24936 numMergedOcc 0
25 mol 225 unq 0 iso 0 dist 8.87609 5.06326 7.29542 17.3148 9.87668 13.317 10.281 6.59663 7.73748 11.432 numMergedOcc 0
26 mol 225 unq 1 iso 0 dist 8.87609 5.06326 7.29542 13.3773 8.42121 10.43 10.281 6.59663 7.73748 13.1625 numMergedOcc 0
27 mol 225 unq 2 iso 0 dist 8.87609 5.06326 7.29542 3.97158 7.8744 6.24324 10.281 6.59663 7.73748 7.7086 numMergedOcc 0
28 mol 225 unq 3 iso 0 dist 8.87609 5.06326 7.29542 9.9875 4.98402 10.7885 10.281 6.59663 7.73748 10.351 numMergedOcc 0
29 mol 227 unq 0 iso 0 dist 8.03442 6.43754 7.1372 5.0317 9.43618 4.09934 5.41321 4.59123 7.57454 8.91971 numMergedOcc 0
