0 mol 18 unq 0 iso 0 dist 6.79099 7.67828 7.55766 9.05986 5.65084 4.8604 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.16827 7.56926 8.60739 10.4149 6.75943 4.55347 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 8.28737 6.38454 4.79949 15.5785 9.85905 11.0792 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 8.28737 11.5407 7.27693 15.5785 9.85905 6.48293 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 5.09688 5.25231 9.00544 10.9005 7.82475 11.3766 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 5.09688 5.25231 9.00544 9.06539 5.35782 10.5056 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 5.09688 6.16378 7.12017 10.9005 7.82475 13.4027 numMergedOcc 0
7 mol 100 unq 3 iso 0 dist 5.09688 6.16378 7.12017 9.06539 5.35782 12.068 numMergedOcc 0
8 mol 100 unq 4 iso 0 dist 9.26343 8.90536 9.00544 16.0043 7.82475 11.3766 numMergedOcc 0
9 mol 100 unq 5 iso 0 dist 9.26343 8.90536 9.00544 14.1132 5.35782 10.5056 numMergedOcc 0
10 mol 100 unq 6 iso 0 dist 9.26343 5.69359 7.12017 16.0043 7.82475 13.4027 numMergedOcc 0
11 mol 100 unq 7 iso 0 dist 9.26343 5.69359 7.12017 14.1132 5.35782 12.068 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.59784 12.9632 8.56342 13.4766 7.64052 6.29394 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 8.59784 4.31572 6.37542 13.4766 7.64052 9.64502 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 8.14071 10.9764 8.03372 5.22333 5.58833 7.06894 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 6.38977 6.53994 8.86329 4.67452 9.27976 5.30999 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 4.93035 5.74529 6.69515 6.48796 8.07097 5.25982 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 8.72463 4.88215 8.41611 7.21648 7.36975 9.05786 numMergedOcc 0
18 mol 143 unq 1 iso 0 dist 8.72463 4.88215 8.41611 9.42107 5.40637 6.16103 numMergedOcc 0
19 mol 143 unq 2 iso 0 dist 8.72463 8.25783 7.63338 7.21648 7.36975 3.75378 numMergedOcc 0
20 mol 143 unq 3 iso 0 dist 8.72463 8.25783 7.63338 9.42107 5.40637 8.4697 numMergedOcc 0
21 mol 143 unq 4 iso 0 dist 8.72463 14.7431 9.03707 7.21648 7.36975 14.0356 numMergedOcc 0
22 mol 143 unq 5 iso 0 dist 8.72463 14.7431 9.03707 9.42107 5.40637 5.41614 numMergedOcc 0
23 mol 143 unq 6 iso 0 dist 8.72463 12.956 7.25673 7.21648 7.36975 9.30534 numMergedOcc 0
24 mol 143 unq 7 iso 0 dist 8.72463 12.956 7.25673 9.42107 5.40637 6.78032 numMergedOcc 0
25 mol 159 unq 0 iso 0 dist 7.78695 6.47213 7.25742 4.14252 9.36259 5.34453 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 5.63906 8.39509 9.83476 7.80781 7.2793 6.38897 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 5.63906 8.39509 9.83476 9.18057 9.51091 8.93258 numMergedOcc 0
28 mol 186 unq 2 iso 0 dist 5.63906 8.39509 9.83476 5.12552 7.85184 11.924 numMergedOcc 0
29 mol 186 unq 3 iso 0 dist 5.63906 6.91649 6.258 7.80781 7.2793 8.88593 numMergedOcc 0
30 mol 186 unq 4 iso 0 dist 5.63906 6.91649 6.258 9.18057 9.51091 8.7188 numMergedOcc 0
31 mol 186 unq 5 iso 0 dist 5.63906 6.91649 6.258 5.12552 7.85184 9.8366 numMergedOcc 0
32 mol 204 unq 0 iso 0 dist 7.92766 10.2224 6.85441 6.6094 7.9133 9.54203 numMergedOcc 0
33 mol 214 unq 0 iso 0 dist 6.83122 8.62938 6.38157 12.8946 7.46481 5.73082 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 7.13194 9.87539 7.32982 13.1414 9.72188 13.0611 numMergedOcc 0
35 mol 238 unq 1 iso 0 dist 7.62771 10.4401 6.4398 14.7797 8.82351 6.22195 numMergedOcc 0
36 mol 238 unq 2 iso 0 dist 7.80166 10.4401 7.32982 6.10342 9.72188 13.0611 numMergedOcc 0
37 mol 238 unq 3 iso 0 dist 9.2521 6.12311 5.64181 12.95 9.08509 6.94907 numMergedOcc 0
38 mol 238 unq 4 iso 0 dist 9.41975 7.3781 7.61393 7.09667 9.06592 9.9447 numMergedOcc 0
39 mol 238 unq 5 iso 0 dist 8.51359 6.12311 7.61393 6.44649 9.06592 9.9447 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 9.47382 15.3317 8.55558 11.8307 5.85442 7.32929 numMergedOcc 0
41 mol 259 unq 1 iso 0 dist 9.47382 15.3317 8.55558 9.41512 6.95511 9.55426 numMergedOcc 0
