0 mol 17 unq 0 iso 0 dist 7.30541 7.18716 9.78953 5.22923 8.55161 11.4665 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.10063 7.63824 11.4519 6.09311 8.11143 12.7806 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.10063 7.63824 11.4519 6.50899 8.9776 13.1926 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 5.31968 4.41045 5.71433 3.82411 7.89306 4.78873 numMergedOcc 0
4 mol 33 unq 1 iso 0 dist 5.31968 4.41045 5.71433 4.28598 8.36697 8.03913 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 8.17492 5.89846 5.04771 6.63195 6.89855 8.14512 numMergedOcc 0
6 mol 63 unq 1 iso 0 dist 7.10403 9.56838 4.44607 11.1855 7.85738 9.13228 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 8.20415 7.81118 6.0407 11.6783 9.93747 15.1888 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 8.20415 7.81118 6.0407 9.48204 9.39265 13.9188 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 9.22704 6.29267 6.51961 6.02092 7.75543 4.15789 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 9.22704 9.64361 9.91821 6.02092 7.75543 12.5014 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 6.27877 8.15861 6.90443 3.81285 7.51319 6.67137 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 6.27877 8.15861 6.90443 6.17121 8.49887 7.04244 numMergedOcc 0
13 mol 85 unq 2 iso 0 dist 6.27877 9.27814 12.641 3.81285 7.51319 12.9252 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 6.27877 9.27814 12.641 6.17121 8.49887 15.2807 numMergedOcc 0
15 mol 91 unq 0 iso 0 dist 8.01351 7.09177 12.7678 9.46631 8.91998 14.8326 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 6.67776 8.23294 4.90515 3.27874 5.23929 5.20429 numMergedOcc 0
17 mol 93 unq 1 iso 0 dist 6.67776 8.2702 5.08254 3.27874 5.23929 8.71366 numMergedOcc 0
18 mol 151 unq 0 iso 0 dist 8.15628 5.91643 4.5975 6.07474 9.00461 9.37533 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 8.11014 7.42696 15.2747 8.24104 8.5544 14.6119 numMergedOcc 0
20 mol 184 unq 1 iso 0 dist 8.11014 5.86468 4.75805 8.24104 8.5544 10.7976 numMergedOcc 0
21 mol 184 unq 2 iso 0 dist 8.11014 8.73302 11.6574 8.24104 8.5544 15.2634 numMergedOcc 0
22 mol 193 unq 0 iso 0 dist 8.30095 7.73964 14.2741 5.57164 9.13587 12.6747 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 8.73423 9.38235 13.1706 16.3802 8.77524 21.8584 numMergedOcc 0
24 mol 204 unq 1 iso 0 dist 8.73423 8.95509 5.79978 16.3802 8.77524 13.8543 numMergedOcc 0
25 mol 204 unq 2 iso 0 dist 6.97502 8.09863 6.40044 3.88406 9.26192 7.64057 numMergedOcc 0
26 mol 233 unq 0 iso 0 dist 6.50096 6.45095 5.02086 6.41178 8.2484 7.83831 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 8.08479 9.2684 12.1427 9.42852 7.36137 12.0398 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 8.08479 9.2684 12.1427 9.63536 4.95415 12.3639 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 9.23009 8.65363 8.9978 10.0567 8.32582 12.639 numMergedOcc 0
30 mol 294 unq 1 iso 0 dist 9.23009 6.44588 5.13965 10.0567 8.32582 10.4035 numMergedOcc 0
