0 mol 7 unq 0 iso 0 dist 5.51421 7.81271 5.13353 10.6104 8.41585 11.659 16.4746 12.8323 17.0924 9.87885 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.6396 8.40051 10.9391 5.8503 5.04899 11.9561 5.77745 6.47509 5.63212 7.05196 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.88413 9.87281 10.8648 5.59268 7.17969 12.4135 8.27137 11.4148 14.1577 4.79873 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.88413 9.87281 10.8648 5.59268 7.17969 12.4135 13.4236 5.68041 15.57 9.48085 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.88413 7.63928 10.2779 5.59268 7.17969 11.6743 8.27137 11.4148 14.321 4.79873 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 8.88413 7.63928 10.2779 5.59268 7.17969 11.6743 13.4236 5.68041 15.7846 9.48085 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 9.87281 8.88413 10.8648 6.17631 7.31767 12.9968 12.3312 6.10919 15.8087 7.6114 numMergedOcc 0
7 mol 25 unq 6 iso 0 dist 9.87281 7.63928 4.51512 6.17631 7.31767 6.03987 12.3312 6.10919 5.86705 7.6114 numMergedOcc 0
8 mol 25 unq 7 iso 0 dist 7.63928 8.88413 10.2779 6.17631 6.03987 12.9968 12.3312 5.86705 15.8087 7.6114 numMergedOcc 0
9 mol 25 unq 8 iso 0 dist 7.63928 9.87281 4.51512 6.17631 6.03987 7.31767 12.3312 5.86705 6.10919 7.6114 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 9.65047 8.69069 15.3836 5.69671 8.03644 11.659 12.0576 15.6249 16.6518 8.27883 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 9.65047 8.69069 15.3836 5.69671 8.03644 11.659 10.4457 12.4896 13.1525 5.75428 numMergedOcc 0
12 mol 95 unq 2 iso 0 dist 9.65047 8.69069 15.3836 5.69671 8.03644 11.659 9.70292 14.2178 7.26851 8.57395 numMergedOcc 0
13 mol 95 unq 3 iso 0 dist 9.65047 8.69069 15.3836 5.69671 8.03644 11.659 9.59704 8.78079 9.13016 9.85409 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 7.95871 9.80286 12.5968 4.86477 6.11741 9.55515 9.29473 6.07067 8.14031 6.39384 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 7.95871 9.80286 12.5968 12.0354 7.88312 15.8031 17.9091 11.835 18.3026 7.69765 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 7.95871 9.80286 12.5968 12.0354 7.88312 15.8031 9.29473 6.07067 8.14031 9.42082 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 9.92932 9.60411 5.49782 10.5108 8.94367 6.37586 12.3555 7.41373 10.8635 9.33094 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 9.92932 9.60411 5.49782 6.20443 9.86662 9.71307 14.5777 12.8086 15.0225 9.1998 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 9.92932 9.60411 5.49782 6.20443 9.86662 9.71307 12.3555 7.41373 10.8635 8.69531 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 9.60411 9.92932 5.49782 10.5108 6.37586 8.94367 12.3555 10.8635 7.41373 9.33094 numMergedOcc 0
21 mol 134 unq 4 iso 0 dist 9.60411 9.92932 5.49782 6.20443 9.71307 9.86662 14.5777 15.0225 12.8086 9.1998 numMergedOcc 0
22 mol 134 unq 5 iso 0 dist 9.60411 9.92932 5.49782 6.20443 9.71307 9.86662 12.3555 10.8635 7.41373 8.69531 numMergedOcc 0
23 mol 134 unq 6 iso 0 dist 9.55556 9.60369 5.62899 11.9294 8.94367 11.7385 8.78303 7.41373 4.46337 9.33094 numMergedOcc 0
24 mol 134 unq 7 iso 0 dist 9.55556 9.60369 5.62899 6.36794 9.86662 11.3835 10.6236 12.8086 10.092 9.1998 numMergedOcc 0
25 mol 134 unq 8 iso 0 dist 9.55556 9.60369 5.62899 6.36794 9.86662 11.3835 8.78303 7.41373 4.46337 8.69531 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 5.4913 8.10287 9.33648 6.8901 7.45763 13.4269 5.06713 8.67921 8.90569 6.49765 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 8.39002 8.46129 5.0744 5.72088 6.57273 6.60589 6.32334 7.05804 5.76843 8.79428 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 8.39002 8.46129 5.0744 6.51315 5.78342 9.16166 6.32334 7.05804 5.76843 6.8692 numMergedOcc 0
29 mol 224 unq 2 iso 0 dist 8.39002 9.2053 5.60236 5.72088 6.57273 10.5128 6.32334 7.05804 4.54188 8.79428 numMergedOcc 0
30 mol 224 unq 3 iso 0 dist 8.39002 9.2053 5.60236 6.51315 5.78342 5.81334 6.32334 7.05804 4.54188 6.8692 numMergedOcc 0
31 mol 224 unq 4 iso 0 dist 8.46129 8.39002 5.0744 6.31508 6.65832 10.103 6.32334 5.76843 7.05804 6.99769 numMergedOcc 0
32 mol 224 unq 5 iso 0 dist 8.46129 8.39002 5.0744 5.72088 6.60589 6.57273 6.32334 5.76843 7.05804 8.79428 numMergedOcc 0
33 mol 224 unq 6 iso 0 dist 8.46129 8.39002 5.0744 6.51315 9.16166 5.78342 6.32334 5.76843 7.05804 6.8692 numMergedOcc 0
34 mol 224 unq 7 iso 0 dist 8.46129 9.2053 6.91102 6.31508 6.65832 10.9745 6.32334 5.76843 4.54188 6.99769 numMergedOcc 0
35 mol 224 unq 8 iso 0 dist 8.46129 9.2053 6.91102 5.72088 6.60589 10.5128 6.32334 5.76843 4.54188 8.79428 numMergedOcc 0
36 mol 224 unq 9 iso 0 dist 8.46129 9.2053 6.91102 6.51315 9.16166 5.81334 6.32334 5.76843 4.54188 6.8692 numMergedOcc 0
37 mol 224 unq 10 iso 0 dist 9.2053 8.39002 5.60236 6.51315 5.81334 5.78342 6.32334 4.54188 7.05804 6.8692 numMergedOcc 0
38 mol 224 unq 11 iso 0 dist 9.2053 8.46129 6.91102 6.51315 5.81334 9.16166 6.32334 4.54188 5.76843 6.8692 numMergedOcc 0
39 mol 232 unq 0 iso 0 dist 9.29752 7.70279 6.56633 9.60401 8.27212 10.5803 12.6048 5.10213 9.74344 6.71524 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 9.89665 9.05929 14.7998 11.247 7.68742 11.2141 13.747 4.89609 16.9105 9.3206 numMergedOcc 0
41 mol 236 unq 1 iso 0 dist 9.05929 9.89665 14.7998 4.32403 8.04248 13.5269 10.5185 4.66414 18.3836 8.23087 numMergedOcc 0
42 mol 236 unq 2 iso 0 dist 6.11137 7.89744 6.59448 9.01197 6.27581 10.9008 14.0625 10.5774 17.1134 9.3206 numMergedOcc 0
43 mol 292 unq 0 iso 0 dist 9.30668 9.64124 5.4956 8.04474 8.2734 11.448 5.72473 7.8414 6.80049 7.20674 numMergedOcc 0
44 mol 292 unq 1 iso 0 dist 9.30668 9.64124 5.4956 8.04474 8.2734 11.448 12.7549 14.179 14.7897 8.38121 numMergedOcc 0
