0 mol 29 unq 0 iso 0 dist 9.99467 5.97548 5.36278 8.03211 9.78134 5.3571 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 9.99467 9.88128 7.50258 8.03211 9.78134 12.1835 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 6.51139 10.8697 6.75602 8.79418 6.35506 5.42185 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.76585 6.95983 8.84944 4.89928 6.57633 7.20713 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 9.76585 11.3999 7.21995 4.89928 6.57633 6.53557 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.04514 9.66389 5.35252 12.2639 8.8645 5.76698 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 9.14072 9.90363 5.06188 12.5909 8.3491 5.75684 numMergedOcc 0
7 mol 53 unq 0 iso 0 dist 9.09831 6.76039 6.70095 6.82319 8.56916 5.86191 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 9.82294 7.89444 5.66803 14.2658 7.11238 7.91421 numMergedOcc 0
9 mol 64 unq 1 iso 0 dist 9.82294 18.0124 8.85416 14.2658 7.11238 5.48409 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.98208 12.456 4.34694 15.1815 7.47162 4.93697 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 5.55798 7.95422 8.61089 4.95654 7.82966 6.12551 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 5.55798 7.95422 8.61089 10.0025 8.26763 7.19348 numMergedOcc 0
13 mol 79 unq 2 iso 0 dist 5.55798 7.95422 8.61089 6.35003 6.30814 9.62824 numMergedOcc 0
14 mol 79 unq 3 iso 0 dist 5.55798 7.95422 8.61089 3.45432 7.318 9.96442 numMergedOcc 0
15 mol 79 unq 4 iso 0 dist 5.55798 6.05149 8.64686 4.95654 7.82966 7.18389 numMergedOcc 0
16 mol 79 unq 5 iso 0 dist 5.55798 6.05149 8.64686 10.0025 8.26763 11.5374 numMergedOcc 0
17 mol 79 unq 6 iso 0 dist 5.55798 6.05149 8.64686 6.35003 6.30814 5.21981 numMergedOcc 0
18 mol 79 unq 7 iso 0 dist 5.55798 6.05149 8.64686 3.45432 7.318 8.12985 numMergedOcc 0
19 mol 83 unq 0 iso 0 dist 6.77845 9.39588 7.2118 11.6894 7.93119 9.38885 numMergedOcc 0
20 mol 83 unq 1 iso 0 dist 6.77845 9.39588 7.2118 6.51558 5.25361 4.93836 numMergedOcc 0
21 mol 83 unq 2 iso 0 dist 5.48555 12.0034 7.2118 10.6214 7.93119 9.38885 numMergedOcc 0
22 mol 83 unq 3 iso 0 dist 5.48555 12.0034 7.2118 9.07479 5.25361 4.93836 numMergedOcc 0
23 mol 83 unq 4 iso 0 dist 5.39805 6.61275 7.2118 6.23042 7.93119 9.38885 numMergedOcc 0
24 mol 83 unq 5 iso 0 dist 5.39805 6.61275 7.2118 7.0157 5.25361 4.93836 numMergedOcc 0
25 mol 114 unq 0 iso 0 dist 8.79677 11.5575 6.54778 13.0649 8.40389 5.33859 numMergedOcc 0
26 mol 114 unq 1 iso 0 dist 8.79677 4.66388 8.57909 13.0649 8.40389 10.2125 numMergedOcc 0
27 mol 115 unq 0 iso 0 dist 5.73946 4.75292 9.33293 5.33827 7.84768 5.84634 numMergedOcc 0
28 mol 128 unq 0 iso 0 dist 8.83811 12.0212 8.64054 5.32851 5.64587 7.90985 numMergedOcc 0
29 mol 152 unq 0 iso 0 dist 9.66811 7.14779 9.65031 9.69359 7.94976 7.28039 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 9.66811 9.85198 8.51844 9.69359 7.94976 5.51498 numMergedOcc 0
31 mol 158 unq 0 iso 0 dist 8.80952 11.2678 9.96635 6.34731 7.68074 7.76298 numMergedOcc 0
32 mol 158 unq 1 iso 0 dist 8.80952 11.2678 9.96635 15.1374 9.1854 8.17573 numMergedOcc 0
33 mol 159 unq 0 iso 0 dist 7.52779 10.242 9.9368 7.44399 9.45909 15.7186 numMergedOcc 0
34 mol 170 unq 0 iso 0 dist 9.05865 9.56212 8.10386 10.2179 9.66676 11.6479 numMergedOcc 0
35 mol 186 unq 0 iso 0 dist 6.36789 12.6035 6.72718 9.03587 8.09915 13.4486 numMergedOcc 0
36 mol 192 unq 0 iso 0 dist 5.21088 4.65303 7.36571 3.81315 7.75405 7.56199 numMergedOcc 0
37 mol 192 unq 1 iso 0 dist 8.25609 4.65303 9.17137 3.81315 7.49971 7.56199 numMergedOcc 0
38 mol 192 unq 2 iso 0 dist 8.25609 4.65303 9.17137 9.53633 9.07427 9.186 numMergedOcc 0
39 mol 195 unq 0 iso 0 dist 9.35664 10.612 7.2833 14.1853 9.20541 4.79025 numMergedOcc 0
40 mol 195 unq 1 iso 0 dist 9.35664 10.612 7.2833 6.61517 6.65077 6.01032 numMergedOcc 0
41 mol 195 unq 2 iso 0 dist 9.04342 4.03375 5.61326 8.79306 8.84149 7.83764 numMergedOcc 0
42 mol 205 unq 0 iso 0 dist 8.47833 11.2438 6.43519 6.10058 7.53734 6.31671 numMergedOcc 0
43 mol 205 unq 1 iso 0 dist 5.47586 7.47443 6.43519 3.50446 7.53734 6.31671 numMergedOcc 0
44 mol 271 unq 0 iso 0 dist 6.96986 12.846 9.50884 4.45954 9.86908 15.1078 numMergedOcc 0
45 mol 279 unq 0 iso 0 dist 9.16172 6.04816 7.83793 9.53624 8.49945 12.7149 numMergedOcc 0
46 mol 279 unq 1 iso 0 dist 9.16172 6.04816 7.83793 5.02324 9.68415 7.60708 numMergedOcc 0
47 mol 287 unq 0 iso 0 dist 6.96248 5.66584 7.14859 11.9352 8.43856 13.8618 numMergedOcc 0
48 mol 288 unq 0 iso 0 dist 6.96248 5.66584 7.14859 11.9352 8.43856 13.8618 numMergedOcc 0
49 mol 289 unq 0 iso 0 dist 6.96248 5.66584 7.14859 11.9352 8.43856 13.8618 numMergedOcc 0
