0 mol 29 unq 0 iso 0 dist 9.99467 5.97548 5.36278 5.28538 8.53135 6.69806 8.03211 9.78134 5.3571 11.2036 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 9.99467 9.88128 7.50258 5.28538 8.53135 5.82508 8.03211 9.78134 12.1835 11.2036 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.76585 6.95983 8.84944 14.0003 7.67459 11.3412 4.89928 6.57633 7.20713 9.50501 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.76585 11.3999 7.21995 14.0003 7.67459 5.88097 4.89928 6.57633 6.53557 9.50501 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 9.04514 9.66389 5.35252 7.35749 9.79657 10.6637 12.2639 8.8645 5.76698 9.60708 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 6.77845 9.39588 7.2118 5.83828 7.9309 9.9201 11.6894 7.93119 9.38885 7.89284 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 6.77845 9.39588 7.2118 5.83828 7.9309 9.9201 6.51558 5.25361 4.93836 9.76251 numMergedOcc 0
7 mol 83 unq 2 iso 0 dist 5.48555 12.0034 7.2118 7.62986 7.9309 9.9201 10.6214 7.93119 9.38885 7.89284 numMergedOcc 0
8 mol 83 unq 3 iso 0 dist 5.48555 12.0034 7.2118 7.62986 7.9309 9.9201 9.07479 5.25361 4.93836 9.76251 numMergedOcc 0
9 mol 83 unq 4 iso 0 dist 5.39805 6.61275 7.2118 3.52321 7.9309 9.9201 6.23042 7.93119 9.38885 7.89284 numMergedOcc 0
10 mol 83 unq 5 iso 0 dist 5.39805 6.61275 7.2118 3.52321 7.9309 9.9201 7.0157 5.25361 4.93836 9.76251 numMergedOcc 0
11 mol 128 unq 0 iso 0 dist 8.83811 12.0212 8.64054 6.41259 6.93718 6.95591 5.32851 5.64587 7.90985 5.50996 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.66811 7.14779 9.65031 6.72526 9.27341 12.1354 9.69359 7.94976 7.28039 10.2277 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 9.66811 9.85198 8.51844 6.72526 9.27341 6.67687 9.69359 7.94976 5.51498 10.2277 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 8.80952 11.2678 9.96635 9.41162 8.95432 17.5374 6.34731 7.68074 7.76298 11.7299 numMergedOcc 0
15 mol 158 unq 1 iso 0 dist 8.80952 11.2678 9.96635 9.41162 8.95432 17.5374 15.1374 9.1854 8.17573 17.16 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 6.36789 12.6035 6.72718 9.85164 9.60838 11.315 9.03587 8.09915 13.4486 13.1601 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 8.47833 11.2438 6.43519 9.61557 8.27071 5.07259 6.10058 7.53734 6.31671 5.23547 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 5.47586 7.47443 6.43519 7.43264 8.27071 5.07259 3.50446 7.53734 6.31671 5.23547 numMergedOcc 0
19 mol 271 unq 0 iso 0 dist 6.96986 12.846 9.50884 5.03107 5.76281 7.94329 4.45954 9.86908 15.1078 7.4613 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 6.96248 5.66584 7.14859 10.5258 8.5458 14.0575 11.9352 8.43856 13.8618 4.53492 numMergedOcc 0
21 mol 287 unq 1 iso 0 dist 6.96248 5.66584 7.14859 5.45438 8.56533 10.6005 11.9352 8.43856 13.8618 9.26749 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 6.96248 5.66584 7.14859 10.5258 8.5458 14.0575 11.9352 8.43856 13.8618 4.53492 numMergedOcc 0
23 mol 288 unq 1 iso 0 dist 6.96248 5.66584 7.14859 5.45438 8.56533 10.6005 11.9352 8.43856 13.8618 9.26749 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 6.96248 5.66584 7.14859 10.5258 8.5458 14.0575 11.9352 8.43856 13.8618 4.53492 numMergedOcc 0
25 mol 289 unq 1 iso 0 dist 6.96248 5.66584 7.14859 5.45438 8.56533 10.6005 11.9352 8.43856 13.8618 9.26749 numMergedOcc 0
