0 mol 33 unq 0 iso 0 dist 5.65377 9.06004 3.82411 6.82054 4.41045 4.78873 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 6.47185 5.92771 3.8412 4.38299 5.81662 3.77542 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 6.69386 6.42645 10.4041 7.49995 10.8695 4.46067 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 9.09269 6.42645 3.70802 7.49995 7.49792 4.46067 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 9.54935 6.72584 6.46071 11.4698 13.4786 7.50925 numMergedOcc 0
5 mol 83 unq 1 iso 0 dist 9.54935 6.72584 6.46071 10.6239 10.0743 6.96722 numMergedOcc 0
6 mol 83 unq 2 iso 0 dist 9.54935 7.25594 3.96895 10.6239 10.0743 7.61085 numMergedOcc 0
7 mol 123 unq 0 iso 0 dist 9.22679 5.18305 9.35964 6.45068 10.7712 5.56127 numMergedOcc 0
8 mol 123 unq 1 iso 0 dist 9.22679 6.78431 7.69442 6.45068 10.7712 5.36214 numMergedOcc 0
9 mol 176 unq 0 iso 0 dist 9.56967 6.95058 3.75017 5.37694 9.40603 8.65645 numMergedOcc 0
10 mol 176 unq 1 iso 0 dist 9.56967 6.95058 3.75017 4.99447 9.7293 6.85902 numMergedOcc 0
11 mol 176 unq 2 iso 0 dist 7.66242 6.95058 3.84631 5.37694 11.2481 8.65645 numMergedOcc 0
12 mol 176 unq 3 iso 0 dist 7.66242 6.95058 3.84631 4.99447 8.00223 6.85902 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 7.79856 7.00278 6.82158 6.46602 7.15344 8.32259 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 7.79856 7.00278 6.82158 8.23616 9.98617 9.93489 numMergedOcc 0
15 mol 204 unq 2 iso 0 dist 6.13127 8.50234 7.73968 8.70089 12.9661 8.54737 numMergedOcc 0
16 mol 204 unq 3 iso 0 dist 6.13127 8.50234 7.73968 5.77393 10.4409 7.64057 numMergedOcc 0
17 mol 283 unq 0 iso 0 dist 9.72248 8.3831 6.30031 5.93642 7.17276 7.31132 numMergedOcc 0
18 mol 284 unq 0 iso 0 dist 7.41633 4.69611 5.88619 3.39008 5.2862 5.6964 numMergedOcc 0
19 mol 284 unq 1 iso 0 dist 5.52837 4.69611 4.57529 3.39008 5.31097 5.6964 numMergedOcc 0
20 mol 284 unq 2 iso 0 dist 6.73163 4.69611 5.2614 3.39008 8.82611 5.6964 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 6.81636 8.08382 11.4589 6.1158 8.4625 4.68668 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 6.81636 8.08382 11.4589 6.1158 8.4625 4.68668 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 6.81636 8.08382 11.4589 6.1158 8.4625 4.68668 numMergedOcc 0
