0 mol 25 unq 0 iso 0 dist 8.40051 8.6396 10.9391 5.77745 5.63212 6.47509 13.466 7.57578 12.7009 10.9703 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.40051 8.6396 10.9391 5.77745 5.63212 6.47509 14.4191 7.17969 12.8117 10.3338 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.6396 8.40051 10.9391 5.77745 6.47509 5.63212 5.8503 5.04899 11.9561 7.05196 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 8.88413 9.87281 10.8648 8.27137 11.4148 14.1577 5.59268 7.17969 12.4135 4.79873 numMergedOcc 0
4 mol 25 unq 4 iso 0 dist 8.88413 7.63928 10.2779 8.27137 11.4148 14.321 5.59268 7.17969 11.6743 4.79873 numMergedOcc 0
5 mol 25 unq 5 iso 0 dist 9.87281 8.88413 10.8648 8.27137 14.1577 11.4148 6.17631 7.31767 12.9968 11.4732 numMergedOcc 0
6 mol 25 unq 6 iso 0 dist 9.87281 7.63928 4.51512 8.27137 14.1577 14.321 6.17631 7.31767 6.03987 11.4732 numMergedOcc 0
7 mol 25 unq 7 iso 0 dist 7.63928 8.88413 10.2779 8.27137 14.321 11.4148 6.17631 6.03987 12.9968 11.4732 numMergedOcc 0
8 mol 25 unq 8 iso 0 dist 7.63928 9.87281 4.51512 8.27137 14.321 14.1577 6.17631 6.03987 7.31767 11.4732 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 6.36193 4.88613 4.81926 8.85156 4.23671 5.6823 5.40367 6.62496 6.35756 10.2845 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 4.88613 6.36193 4.81926 8.85156 5.6823 4.23671 5.40367 6.35756 6.62496 10.2845 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 9.65047 8.69069 15.3836 9.70292 14.2178 7.26851 5.33325 7.27724 12.5309 14.1515 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 9.65047 8.69069 15.3836 9.70292 14.2178 7.26851 5.69671 8.03644 11.659 8.57395 numMergedOcc 0
13 mol 95 unq 2 iso 0 dist 9.65047 8.69069 15.3836 9.59704 8.78079 9.13016 5.33325 7.27724 12.5309 10.3132 numMergedOcc 0
14 mol 95 unq 3 iso 0 dist 9.65047 8.69069 15.3836 9.59704 8.78079 9.13016 5.69671 8.03644 11.659 9.85409 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 7.95871 9.80286 12.5968 9.79864 9.62029 4.81028 4.86477 6.11741 9.55515 9.13312 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 7.95871 9.80286 12.5968 9.79864 9.62029 4.81028 12.0354 7.88312 15.8031 14.3246 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 6.18763 8.82535 4.72062 9.10803 9.85023 9.20252 5.3154 6.18601 9.80193 13.6983 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 6.18763 8.44385 10.9871 9.10803 9.85023 12.4829 5.3154 6.18601 10.1813 13.6983 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 6.18763 5.63005 9.93257 9.10803 9.85023 8.84069 5.3154 6.18601 9.72413 13.6983 numMergedOcc 0
20 mol 119 unq 3 iso 0 dist 8.44385 8.82535 10.0278 9.10803 12.4829 9.20252 12.1192 9.87172 15.3394 20.14 numMergedOcc 0
21 mol 119 unq 4 iso 0 dist 8.44385 6.18763 10.9871 9.10803 12.4829 9.85023 12.1192 9.87172 13.9919 20.14 numMergedOcc 0
22 mol 119 unq 5 iso 0 dist 8.44385 5.63005 4.85907 9.10803 12.4829 8.84069 12.1192 9.87172 12.6489 20.14 numMergedOcc 0
23 mol 119 unq 6 iso 0 dist 5.63005 8.82535 9.93385 9.10803 8.84069 9.20252 10.5268 8.73993 17.937 16.2889 numMergedOcc 0
24 mol 119 unq 7 iso 0 dist 5.63005 6.18763 9.93257 9.10803 8.84069 9.85023 10.5268 8.73993 16.4353 16.2889 numMergedOcc 0
25 mol 119 unq 8 iso 0 dist 5.63005 8.44385 4.85907 9.10803 8.84069 12.4829 10.5268 8.73993 10.3704 16.2889 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 9.55556 9.60369 5.62899 8.78303 7.41373 4.46337 11.9294 8.94367 11.7385 9.33094 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 9.55556 9.60369 5.62899 8.78303 7.41373 4.46337 6.36794 9.86662 11.3835 8.69531 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 5.4913 8.10287 9.33648 5.06713 8.67921 8.90569 6.8901 7.45763 13.4269 6.49765 numMergedOcc 0
29 mol 205 unq 1 iso 0 dist 5.4913 8.10287 9.33648 8.69512 12.8695 6.37317 6.8901 7.45763 13.4269 14.2129 numMergedOcc 0
30 mol 224 unq 0 iso 0 dist 8.39002 8.46129 5.0744 6.32334 7.05804 5.76843 9.98893 8.95269 9.99123 13.2325 numMergedOcc 0
31 mol 224 unq 1 iso 0 dist 8.39002 8.46129 5.0744 6.32334 7.05804 5.76843 5.72088 6.57273 6.60589 8.79428 numMergedOcc 0
32 mol 224 unq 2 iso 0 dist 8.39002 8.46129 5.0744 6.32334 7.05804 5.76843 6.51315 5.78342 9.16166 6.8692 numMergedOcc 0
33 mol 224 unq 3 iso 0 dist 8.39002 9.2053 5.60236 6.32334 7.05804 4.54188 9.98893 8.95269 14.0676 13.2325 numMergedOcc 0
34 mol 224 unq 4 iso 0 dist 8.39002 9.2053 5.60236 6.32334 7.05804 4.54188 5.72088 6.57273 10.5128 8.79428 numMergedOcc 0
35 mol 224 unq 5 iso 0 dist 8.39002 9.2053 5.60236 6.32334 7.05804 4.54188 6.51315 5.78342 5.81334 6.8692 numMergedOcc 0
36 mol 224 unq 6 iso 0 dist 8.46129 8.39002 5.0744 6.32334 5.76843 7.05804 6.31508 6.65832 10.103 6.99769 numMergedOcc 0
37 mol 224 unq 7 iso 0 dist 8.46129 8.39002 5.0744 6.32334 5.76843 7.05804 5.72088 6.60589 6.57273 8.79428 numMergedOcc 0
38 mol 224 unq 8 iso 0 dist 8.46129 8.39002 5.0744 6.32334 5.76843 7.05804 6.51315 9.16166 5.78342 6.8692 numMergedOcc 0
39 mol 224 unq 9 iso 0 dist 8.46129 9.2053 6.91102 6.32334 5.76843 4.54188 6.31508 6.65832 10.9745 6.99769 numMergedOcc 0
40 mol 224 unq 10 iso 0 dist 8.46129 9.2053 6.91102 6.32334 5.76843 4.54188 5.72088 6.60589 10.5128 8.79428 numMergedOcc 0
41 mol 224 unq 11 iso 0 dist 8.46129 9.2053 6.91102 6.32334 5.76843 4.54188 6.51315 9.16166 5.81334 6.8692 numMergedOcc 0
42 mol 224 unq 12 iso 0 dist 9.2053 8.39002 5.60236 6.32334 4.54188 7.05804 6.51315 5.81334 5.78342 6.8692 numMergedOcc 0
43 mol 224 unq 13 iso 0 dist 9.2053 8.46129 6.91102 6.32334 4.54188 5.76843 6.51315 5.81334 9.16166 6.8692 numMergedOcc 0
44 mol 236 unq 0 iso 0 dist 6.11137 7.89744 6.59448 9.94117 10.5937 14.162 15.1664 9.99038 13.864 19.0739 numMergedOcc 0
45 mol 236 unq 1 iso 0 dist 6.11137 7.89744 6.59448 9.94117 10.5937 14.162 9.01197 6.27581 10.9008 15.106 numMergedOcc 0
46 mol 292 unq 0 iso 0 dist 9.30668 9.64124 5.4956 5.72473 7.8414 6.80049 8.04474 8.2734 11.448 7.20674 numMergedOcc 0
