0 mol 24 unq 0 iso 0 dist 6.11056 10.4744 8.86116 6.40447 8.09311 11.6226 8.94703 4.79736 12.3058 7.77964 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.11056 6.9756 8.38394 6.40447 8.09311 6.17155 8.94703 4.79736 10.6772 7.77964 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 6.29702 4.79873 10.2864 5.77745 5.63212 10.9703 7.44277 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.40051 14.4191 7.17969 6.29702 4.79873 11.4148 5.77745 5.63212 10.3338 7.44277 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 8.6396 5.8503 5.04899 5.23233 6.55597 4.69295 5.77745 6.47509 7.05196 8.07318 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 7.20538 6.93876 8.66265 7.2452 9.03564 6.75591 7.93171 9.96534 13.2483 8.77529 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 9.65047 5.33325 7.27724 8.55456 9.3948 3.94537 15.4881 13.086 10.3995 8.75345 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 9.65047 5.69671 8.03644 8.55456 9.3948 11.3215 15.4881 13.086 18.3711 8.75345 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 8.3164 11.5656 8.69985 8.08642 7.07971 4.69373 9.94704 5.00433 8.52024 9.09348 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.02717 5.28901 7.30858 12.6105 9.42082 15.3161 9.5681 6.01673 13.22 7.65564 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 5.02717 6.75472 5.83991 12.6105 9.42082 6.63111 9.5681 6.01673 6.24825 7.65564 numMergedOcc 0
11 mol 115 unq 2 iso 0 dist 5.02717 11.0268 7.88312 12.6105 9.42082 6.07067 9.5681 6.01673 10.0255 7.65564 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 3.76211 7.21868 8.06642 12.3555 7.41373 9.33094 8.62504 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 9.92932 6.20443 9.86662 3.76211 7.21868 4.00092 12.3555 7.41373 8.69531 8.62504 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 9.60411 10.5108 6.37586 3.76211 7.93372 8.06642 12.3555 10.8635 9.33094 8.62504 numMergedOcc 0
15 mol 134 unq 3 iso 0 dist 9.60411 6.20443 9.71307 3.76211 7.93372 4.00092 12.3555 10.8635 8.69531 8.62504 numMergedOcc 0
16 mol 134 unq 4 iso 0 dist 9.55556 11.9294 8.94367 4.63732 7.21868 8.06642 8.78303 7.41373 9.33094 8.62504 numMergedOcc 0
17 mol 134 unq 5 iso 0 dist 9.55556 6.36794 9.86662 4.63732 7.21868 4.00092 8.78303 7.41373 8.69531 8.62504 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 4.68518 5.40637 7.39837 12.027 4.78563 5.37047 9.29944 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 9.77747 9.01624 5.71898 11.2091 5.42158 9.81178 9.92831 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 9.84952 12.9554 7.63312 9.77747 9.01624 5.93724 11.2091 5.42158 10.6106 9.92831 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 9.51764 6.28065 9.65138 14.8375 7.46481 11.4955 23.1052 16.8346 18.1547 9.43017 numMergedOcc 0
22 mol 214 unq 1 iso 0 dist 9.51764 11.2159 7.14453 14.8375 7.46481 8.459 23.1052 16.8346 15.2984 9.43017 numMergedOcc 0
23 mol 214 unq 2 iso 0 dist 9.51764 6.53326 8.85478 14.8375 7.46481 11.1534 23.1052 16.8346 18.5607 9.43017 numMergedOcc 0
24 mol 214 unq 3 iso 0 dist 5.36829 11.7583 9.65138 5.47184 7.46481 11.4955 13.4013 16.8346 18.1547 9.43017 numMergedOcc 0
25 mol 214 unq 4 iso 0 dist 5.36829 4.98764 7.14453 5.47184 7.46481 8.459 13.4013 16.8346 15.2984 9.43017 numMergedOcc 0
26 mol 214 unq 5 iso 0 dist 5.36829 12.3481 8.85478 5.47184 7.46481 11.1534 13.4013 16.8346 18.5607 9.43017 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 4.91709 5.56538 6.84862 8.86886 8.34852 12.0171 8.14294 numMergedOcc 0
28 mol 222 unq 1 iso 0 dist 7.85877 4.82768 7.21333 5.96186 7.48954 9.53117 8.86886 8.34852 12.0171 5.72 numMergedOcc 0
29 mol 272 unq 0 iso 0 dist 9.64596 5.26991 8.48753 3.7218 6.44147 5.12237 12.1734 4.03396 10.3659 8.55539 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 9.29635 10.8075 9.7748 12.2421 8.9682 17.6038 11.7453 3.97543 12.1398 7.16209 numMergedOcc 0
31 mol 277 unq 1 iso 0 dist 9.29635 10.8075 9.7748 10.9521 6.92711 14.772 11.7453 3.97543 12.1398 4.62936 numMergedOcc 0
