0 mol 20 unq 0 iso 0 dist 9.62492 8.98326 6.3965 9.37411 3.63394 3.21365 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.67226 8.98326 4.76485 9.37411 5.17224 3.21365 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.073 6.09085 6.4113 7.51631 10.0937 7.18877 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.75708 7.10218 6.7906 5.98764 12.4544 10.145 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 9.35364 7.84956 10.5689 8.6356 12.1081 3.62998 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 9.35364 8.57607 17.1595 8.6356 12.1081 8.96713 numMergedOcc 0
6 mol 95 unq 2 iso 0 dist 9.35364 6.1991 15.0045 8.6356 12.1081 10.6694 numMergedOcc 0
7 mol 95 unq 3 iso 0 dist 9.35364 5.96246 10.1179 8.6356 12.1081 10.3539 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 5.32517 6.78833 5.62774 7.12662 8.30851 3.58393 numMergedOcc 0
9 mol 128 unq 1 iso 0 dist 5.32517 6.78833 5.62774 9.38 12.0704 7.73275 numMergedOcc 0
10 mol 128 unq 2 iso 0 dist 7.6275 6.78833 4.98024 7.12662 8.39591 3.58393 numMergedOcc 0
11 mol 128 unq 3 iso 0 dist 7.6275 6.78833 4.98024 9.38 11.7516 7.73275 numMergedOcc 0
12 mol 128 unq 4 iso 0 dist 7.4738 6.78833 6.84628 7.12662 3.81254 3.58393 numMergedOcc 0
13 mol 128 unq 5 iso 0 dist 7.4738 6.78833 6.84628 9.38 6.13996 7.73275 numMergedOcc 0
14 mol 128 unq 6 iso 0 dist 8.88867 6.78833 8.84157 7.12662 7.67031 3.58393 numMergedOcc 0
15 mol 128 unq 7 iso 0 dist 8.88867 6.78833 8.84157 9.38 4.62046 7.73275 numMergedOcc 0
16 mol 128 unq 8 iso 0 dist 7.04282 6.78833 4.99095 7.12662 4.79627 3.58393 numMergedOcc 0
17 mol 128 unq 9 iso 0 dist 7.04282 6.78833 4.99095 9.38 4.769 7.73275 numMergedOcc 0
18 mol 169 unq 0 iso 0 dist 8.11268 9.70796 14.9735 6.85177 7.16323 13.7198 numMergedOcc 0
19 mol 169 unq 1 iso 0 dist 8.11268 9.70796 14.9735 8.88729 11.9514 15.5677 numMergedOcc 0
20 mol 169 unq 2 iso 0 dist 9.19569 8.89822 7.0638 7.07933 5.74428 3.59996 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 9.51189 6.04336 9.03587 9.6283 14.4211 5.4547 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 9.51189 9.00537 12.4735 9.6283 14.4211 8.85948 numMergedOcc 0
23 mol 186 unq 2 iso 0 dist 6.22466 8.9388 3.6848 8.86574 12.7948 16.2492 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 8.51112 8.08491 3.58901 9.33055 8.15115 5.60873 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 9.19343 7.59666 4.98276 8.47283 4.71133 8.03752 numMergedOcc 0
26 mol 204 unq 1 iso 0 dist 9.19343 6.51936 3.72636 8.47283 4.71133 4.05102 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 8.31187 8.30771 14.2431 8.63808 9.98527 7.75074 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 8.4908 5.65458 3.67057 5.76741 6.64096 3.56723 numMergedOcc 0
29 mol 260 unq 0 iso 0 dist 7.46 6.79386 9.22751 8.90109 3.43711 12.0831 numMergedOcc 0
30 mol 260 unq 1 iso 0 dist 7.46 6.19564 6.73886 8.90109 3.43711 9.94995 numMergedOcc 0
31 mol 260 unq 2 iso 0 dist 6.71406 6.79386 5.47193 8.90109 7.63469 12.0831 numMergedOcc 0
32 mol 260 unq 3 iso 0 dist 6.71406 6.19564 5.38205 8.90109 7.63469 9.94995 numMergedOcc 0
33 mol 285 unq 0 iso 0 dist 5.77107 7.12723 8.02755 5.93983 5.00843 3.14843 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 7.60019 7.48212 10.0594 8.06614 5.33412 9.42231 numMergedOcc 0
