0 mol 0 unq 0 iso 0 dist 6.99594 12.7893 7.92928 12.3865 7.02374 9.19007 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.99594 5.66453 7.48645 9.42137 10.3034 6.26831 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 9.86938 11.4765 8.94096 15.118 13.7792 6.82379 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 9.86938 11.4765 8.94096 16.4447 10.6893 6.24978 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 9.86938 11.4765 8.94096 20.5466 13.8882 9.66439 numMergedOcc 0
5 mol 8 unq 3 iso 0 dist 9.86938 11.4765 8.94096 17.0203 12.8924 7.3915 numMergedOcc 0
6 mol 8 unq 4 iso 0 dist 8.16743 12.3138 9.07858 16.9088 15.4959 6.82379 numMergedOcc 0
7 mol 8 unq 5 iso 0 dist 8.16743 12.3138 9.07858 16.0417 12.0818 6.24978 numMergedOcc 0
8 mol 8 unq 6 iso 0 dist 8.16743 12.3138 9.07858 15.0093 11.4738 9.66439 numMergedOcc 0
9 mol 8 unq 7 iso 0 dist 8.16743 12.3138 9.07858 7.46102 4.85329 7.3915 numMergedOcc 0
10 mol 9 unq 0 iso 0 dist 8.77049 5.3866 9.82483 11.8248 13.5628 7.05346 numMergedOcc 0
11 mol 9 unq 1 iso 0 dist 6.95341 6.49896 9.82483 10.068 13.5628 7.05346 numMergedOcc 0
12 mol 13 unq 0 iso 0 dist 9.37413 10.8881 8.00865 15.5309 13.1699 5.78148 numMergedOcc 0
13 mol 13 unq 1 iso 0 dist 9.37413 10.8881 8.00865 16.4945 10.5634 6.26071 numMergedOcc 0
14 mol 13 unq 2 iso 0 dist 9.37413 10.8881 8.00865 16.7929 8.66829 8.43325 numMergedOcc 0
15 mol 13 unq 3 iso 0 dist 9.18487 10.8881 9.11447 15.5309 11.1987 5.78148 numMergedOcc 0
16 mol 13 unq 4 iso 0 dist 9.18487 10.8881 9.11447 16.4945 12.0488 6.26071 numMergedOcc 0
17 mol 13 unq 5 iso 0 dist 9.18487 10.8881 9.11447 16.7929 14.2112 8.43325 numMergedOcc 0
18 mol 26 unq 0 iso 0 dist 7.7868 5.19508 7.61055 10.8072 9.87119 5.69955 numMergedOcc 0
19 mol 26 unq 1 iso 0 dist 7.7868 5.19508 7.61055 9.94775 4.74747 8.6385 numMergedOcc 0
20 mol 44 unq 0 iso 0 dist 7.23261 8.17152 9.17518 9.96265 5.87283 7.52117 numMergedOcc 0
21 mol 44 unq 1 iso 0 dist 6.20069 8.17152 8.21833 9.96265 10.6223 7.52117 numMergedOcc 0
22 mol 44 unq 2 iso 0 dist 8.96501 10.0357 9.17518 9.70459 5.87283 7.52117 numMergedOcc 0
23 mol 44 unq 3 iso 0 dist 9.4798 7.37043 9.17518 7.78905 5.87283 7.52117 numMergedOcc 0
24 mol 56 unq 0 iso 0 dist 5.67098 7.39536 5.86571 14.0262 10.9467 6.77886 numMergedOcc 0
25 mol 56 unq 1 iso 0 dist 8.58218 11.4735 5.86571 17.7498 10.9467 6.77886 numMergedOcc 0
26 mol 119 unq 0 iso 0 dist 8.95838 5.47002 5.85818 13.2232 7.36192 7.99857 numMergedOcc 0
27 mol 119 unq 1 iso 0 dist 8.95838 5.47002 5.85818 13.3689 10.6679 8.56342 numMergedOcc 0
28 mol 119 unq 2 iso 0 dist 9.47892 13.8865 5.85818 15.3808 7.36192 7.99857 numMergedOcc 0
29 mol 119 unq 3 iso 0 dist 9.47892 13.8865 5.85818 19.5006 10.6679 8.56342 numMergedOcc 0
30 mol 143 unq 0 iso 0 dist 9.43335 5.91006 8.1582 11.9443 6.01455 7.63338 numMergedOcc 0
31 mol 143 unq 1 iso 0 dist 9.43335 10.9939 7.88655 11.9443 6.01455 7.25673 numMergedOcc 0
32 mol 143 unq 2 iso 0 dist 9.9492 14.2311 8.1582 13.375 6.01455 7.63338 numMergedOcc 0
33 mol 143 unq 3 iso 0 dist 9.9492 9.32969 7.88655 13.375 6.01455 7.25673 numMergedOcc 0
34 mol 154 unq 0 iso 0 dist 8.46844 6.14702 6.28417 11.7242 6.53652 7.72144 numMergedOcc 0
35 mol 159 unq 0 iso 0 dist 8.91189 6.23157 7.13269 7.97007 4.57561 7.25742 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 9.08641 7.41978 9.59034 11.5247 10.5203 6.72641 numMergedOcc 0
37 mol 214 unq 0 iso 0 dist 9.39099 6.83037 7.2498 12.9165 7.62375 7.05523 numMergedOcc 0
38 mol 214 unq 1 iso 0 dist 9.39099 6.83037 7.2498 4.84709 10.7373 8.46327 numMergedOcc 0
39 mol 218 unq 0 iso 0 dist 8.27907 5.77167 6.86795 7.0843 6.05563 6.29367 numMergedOcc 0
40 mol 218 unq 1 iso 0 dist 8.27907 5.77167 6.86795 7.73315 9.68444 5.76954 numMergedOcc 0
41 mol 218 unq 2 iso 0 dist 8.27907 5.77167 6.86795 6.9398 11.4148 9.20961 numMergedOcc 0
42 mol 218 unq 3 iso 0 dist 8.27907 7.54799 6.23898 11.8887 7.35842 8.0751 numMergedOcc 0
43 mol 218 unq 4 iso 0 dist 7.90156 10.8118 9.67381 13.162 7.47048 8.06216 numMergedOcc 0
44 mol 218 unq 5 iso 0 dist 7.90156 12.2629 6.61099 15.7646 8.36122 6.29367 numMergedOcc 0
45 mol 218 unq 6 iso 0 dist 7.90156 12.2629 6.61099 13.162 7.47048 5.76954 numMergedOcc 0
46 mol 218 unq 7 iso 0 dist 7.90156 12.2629 6.61099 18.6994 12.7963 9.20961 numMergedOcc 0
47 mol 238 unq 0 iso 0 dist 9.94175 11.1472 8.6597 13.9196 10.4664 5.64181 numMergedOcc 0
48 mol 238 unq 1 iso 0 dist 9.94175 11.1472 8.6597 11.2596 13.3539 7.61393 numMergedOcc 0
49 mol 238 unq 2 iso 0 dist 8.81534 13.5907 8.6597 11.3074 10.4664 5.64181 numMergedOcc 0
50 mol 238 unq 3 iso 0 dist 8.81534 13.5907 8.6597 14.244 13.3539 7.61393 numMergedOcc 0
51 mol 238 unq 4 iso 0 dist 9.46582 12.2456 7.61203 12.9412 11.6239 5.52379 numMergedOcc 0
52 mol 238 unq 5 iso 0 dist 9.77231 12.2456 9.47845 12.9412 13.9614 5.52379 numMergedOcc 0
53 mol 238 unq 6 iso 0 dist 7.96197 9.92633 9.42618 10.9696 13.0842 6.66971 numMergedOcc 0
54 mol 238 unq 7 iso 0 dist 7.96197 9.92633 9.42618 14.6908 15.3074 6.4398 numMergedOcc 0
55 mol 238 unq 8 iso 0 dist 7.96197 9.92633 9.42618 13.4956 8.85181 7.32982 numMergedOcc 0
56 mol 248 unq 0 iso 0 dist 8.97536 5.82647 8.42446 10.6798 5.59351 6.77954 numMergedOcc 0
57 mol 259 unq 0 iso 0 dist 9.53092 6.20003 6.39918 11.6963 5.79468 8.55558 numMergedOcc 0
58 mol 259 unq 1 iso 0 dist 9.53092 6.20003 6.39918 12.9189 5.31048 8.59697 numMergedOcc 0
59 mol 277 unq 0 iso 0 dist 8.96092 9.93007 7.25677 14.0854 9.92201 6.57903 numMergedOcc 0
60 mol 277 unq 1 iso 0 dist 8.96092 9.93007 7.25677 13.8563 7.29899 9.65707 numMergedOcc 0
61 mol 277 unq 2 iso 0 dist 8.96092 11.01 6.73126 15.1547 6.21891 9.3936 numMergedOcc 0
