0 mol 20 unq 0 iso 0 dist 6.73484 8.89289 5.45554 9.14809 6.44693 11.5812 numMergedOcc 0
1 mol 100 unq 0 iso 0 dist 9.81202 8.07051 11.2351 8.71142 5.09688 11.5472 numMergedOcc 0
2 mol 100 unq 1 iso 0 dist 9.27056 8.07051 8.46662 6.27843 9.91446 6.78459 numMergedOcc 0
3 mol 100 unq 2 iso 0 dist 9.27056 8.07051 8.46662 8.71142 9.26343 11.5472 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 5.09936 9.0807 11.4822 6.17691 5.94478 15.1643 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 8.70098 8.91758 6.46621 5.78487 8.32004 10.517 numMergedOcc 0
6 mol 132 unq 0 iso 0 dist 9.51094 9.7097 12.8539 10.3663 9.0339 11.5642 numMergedOcc 0
7 mol 132 unq 1 iso 0 dist 9.51094 9.7097 12.8539 9.16496 8.48641 13.9285 numMergedOcc 0
8 mol 132 unq 2 iso 0 dist 9.51094 9.7097 12.8539 8.10884 6.23573 13.7853 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.43061 8.84415 3.71857 7.862 4.93035 6.42756 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 8.43061 8.84415 3.71857 5.64577 9.75558 10.8958 numMergedOcc 0
11 mol 153 unq 0 iso 0 dist 6.81821 7.53192 6.07942 10.0643 9.56587 14.0424 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 9.36589 9.57307 3.84324 10.803 7.39961 8.81169 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 9.36589 9.57307 3.84324 7.7394 7.80643 10.3078 numMergedOcc 0
14 mol 156 unq 2 iso 0 dist 9.36589 8.22366 12.4869 10.803 7.39961 12.9552 numMergedOcc 0
15 mol 156 unq 3 iso 0 dist 9.36589 8.22366 12.4869 7.7394 7.80643 13.4609 numMergedOcc 0
16 mol 156 unq 4 iso 0 dist 9.36589 8.67045 17.9886 10.803 7.39961 17.7248 numMergedOcc 0
17 mol 156 unq 5 iso 0 dist 9.36589 8.67045 17.9886 7.7394 7.80643 14.5125 numMergedOcc 0
18 mol 211 unq 0 iso 0 dist 7.67367 8.47937 9.43858 7.83036 9.82765 8.63308 numMergedOcc 0
19 mol 249 unq 0 iso 0 dist 9.87896 8.09174 6.06312 7.61942 6.93507 5.78121 numMergedOcc 0
20 mol 249 unq 1 iso 0 dist 9.87896 8.09174 6.06312 5.09262 6.42827 7.29898 numMergedOcc 0
21 mol 249 unq 2 iso 0 dist 9.87896 9.08729 10.3054 7.61942 6.93507 10.4288 numMergedOcc 0
22 mol 249 unq 3 iso 0 dist 9.87896 9.08729 10.3054 5.09262 6.42827 8.91685 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 6.11495 9.98647 10.2262 4.53603 6.49599 13.1771 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 6.11495 9.98647 10.2262 7.47781 9.34738 17.1976 numMergedOcc 0
25 mol 259 unq 2 iso 0 dist 6.11495 9.98647 10.2262 11.2052 9.47382 18.2168 numMergedOcc 0
26 mol 259 unq 3 iso 0 dist 6.11495 7.75463 5.54631 4.53603 6.49599 10.3271 numMergedOcc 0
27 mol 259 unq 4 iso 0 dist 6.11495 7.75463 5.54631 7.47781 9.34738 13.883 numMergedOcc 0
28 mol 259 unq 5 iso 0 dist 6.11495 7.75463 5.54631 11.2052 9.47382 14.518 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 9.62809 6.075 13.4877 12.3326 7.1984 14.5766 numMergedOcc 0
30 mol 294 unq 1 iso 0 dist 9.62809 5.27696 10.7989 12.3326 7.1984 13.9033 numMergedOcc 0
