0 mol 32 unq 0 iso 0 dist 8.88829 4.35522 7.26268 3.24351 8.91596 6.37026 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 4.82342 6.15452 9.19165 7.34619 7.68478 5.08577 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 7.09258 7.54321 6.21799 10.7286 6.62699 4.38233 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 7.09258 5.2819 5.03251 10.7286 6.62699 5.62585 numMergedOcc 0
4 mol 72 unq 2 iso 0 dist 7.09258 3.53164 7.66093 10.7286 6.62699 9.84528 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.28058 15.8189 8.72682 10.273 8.62079 14.0236 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 7.28058 9.77994 6.45841 10.273 8.62079 11.9118 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 7.28058 10.8484 5.61588 10.273 8.62079 10.0644 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 7.28058 14.7963 7.83244 10.273 8.62079 12.1501 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 8.40871 10.8182 6.85523 7.4829 7.91148 6.99884 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 8.40871 10.8182 6.85523 8.47947 6.59794 3.75261 numMergedOcc 0
11 mol 78 unq 2 iso 0 dist 8.40871 10.8182 6.85523 5.63389 8.34957 10.6388 numMergedOcc 0
12 mol 78 unq 3 iso 0 dist 8.40871 3.48199 5.77326 7.4829 7.91148 4.75637 numMergedOcc 0
13 mol 78 unq 4 iso 0 dist 8.40871 3.48199 5.77326 8.47947 6.59794 5.62063 numMergedOcc 0
14 mol 78 unq 5 iso 0 dist 8.40871 3.48199 5.77326 5.63389 8.34957 3.81575 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 6.1421 3.82645 6.69691 12.077 7.97548 9.74071 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 6.1421 3.82645 6.69691 10.5094 9.64164 6.92699 numMergedOcc 0
17 mol 129 unq 2 iso 0 dist 6.1421 5.75588 5.51197 12.077 7.97548 9.87781 numMergedOcc 0
18 mol 129 unq 3 iso 0 dist 6.1421 5.75588 5.51197 10.5094 9.64164 9.93375 numMergedOcc 0
19 mol 129 unq 4 iso 0 dist 6.1421 4.18263 8.86944 12.077 7.97548 13.8096 numMergedOcc 0
20 mol 129 unq 5 iso 0 dist 6.1421 4.18263 8.86944 10.5094 9.64164 11.221 numMergedOcc 0
21 mol 129 unq 6 iso 0 dist 9.54663 5.71616 6.69691 9.45041 7.97548 9.74071 numMergedOcc 0
22 mol 129 unq 7 iso 0 dist 9.54663 5.71616 6.69691 5.50122 9.64164 6.92699 numMergedOcc 0
23 mol 129 unq 8 iso 0 dist 9.54663 11.0564 5.51197 9.45041 7.97548 9.87781 numMergedOcc 0
24 mol 129 unq 9 iso 0 dist 9.54663 11.0564 5.51197 5.50122 9.64164 9.93375 numMergedOcc 0
25 mol 129 unq 10 iso 0 dist 9.54663 7.22602 8.86944 9.45041 7.97548 13.8096 numMergedOcc 0
26 mol 129 unq 11 iso 0 dist 9.54663 7.22602 8.86944 5.50122 9.64164 11.221 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 6.20985 5.74845 8.73533 3.98361 5.90765 3.60793 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 7.69466 5.60861 8.73533 6.15845 5.90765 3.60793 numMergedOcc 0
29 mol 197 unq 0 iso 0 dist 7.18765 4.26432 9.10817 15.4113 9.23086 17.435 numMergedOcc 0
30 mol 197 unq 1 iso 0 dist 7.18765 14.0652 9.73548 15.4113 9.23086 4.91041 numMergedOcc 0
31 mol 218 unq 0 iso 0 dist 9.95084 13.8104 7.33709 3.90895 7.84952 13.5381 numMergedOcc 0
32 mol 232 unq 0 iso 0 dist 6.94983 7.30782 6.71524 8.26136 8.25985 3.43286 numMergedOcc 0
33 mol 232 unq 1 iso 0 dist 6.94983 7.30782 6.71524 4.7723 9.27788 5.45761 numMergedOcc 0
34 mol 241 unq 0 iso 0 dist 5.40961 4.61243 7.95042 7.13208 7.52531 6.7194 numMergedOcc 0
35 mol 241 unq 1 iso 0 dist 8.74174 5.82647 7.95042 6.95297 7.52531 6.7194 numMergedOcc 0
36 mol 241 unq 2 iso 0 dist 5.57621 6.31237 7.95042 8.09397 7.52531 6.7194 numMergedOcc 0
37 mol 241 unq 3 iso 0 dist 8.28853 9.3302 7.95042 6.13288 7.52531 6.7194 numMergedOcc 0
38 mol 241 unq 4 iso 0 dist 8.71739 11.4584 7.95042 5.13491 7.52531 6.7194 numMergedOcc 0
39 mol 257 unq 0 iso 0 dist 6.50405 9.94726 8.83833 8.74714 9.6834 9.14227 numMergedOcc 0
40 mol 270 unq 0 iso 0 dist 9.02113 4.65147 9.31275 9.89802 8.65354 7.2389 numMergedOcc 0
41 mol 270 unq 1 iso 0 dist 9.02113 7.14116 8.56508 9.89802 8.65354 3.30547 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 6.86014 11.4058 9.35539 9.69757 4.9764 13.2853 numMergedOcc 0
43 mol 277 unq 1 iso 0 dist 6.86014 11.4058 9.35539 10.2113 6.36559 12.4985 numMergedOcc 0
44 mol 277 unq 2 iso 0 dist 6.86014 14.6762 8.9682 9.69757 4.9764 5.9732 numMergedOcc 0
45 mol 277 unq 3 iso 0 dist 6.86014 14.6762 8.9682 10.2113 6.36559 8.61922 numMergedOcc 0
46 mol 277 unq 4 iso 0 dist 6.86014 11.68 6.92711 9.69757 4.9764 3.79766 numMergedOcc 0
47 mol 277 unq 5 iso 0 dist 6.86014 11.68 6.92711 10.2113 6.36559 7.07613 numMergedOcc 0
48 mol 277 unq 6 iso 0 dist 5.97073 6.9003 9.35539 7.55695 4.9764 13.2853 numMergedOcc 0
49 mol 277 unq 7 iso 0 dist 5.97073 6.9003 9.35539 6.26644 6.36559 12.4985 numMergedOcc 0
50 mol 277 unq 8 iso 0 dist 5.97073 11.3103 8.9682 7.55695 4.9764 5.9732 numMergedOcc 0
51 mol 277 unq 9 iso 0 dist 5.97073 11.3103 8.9682 6.26644 6.36559 8.61922 numMergedOcc 0
52 mol 277 unq 10 iso 0 dist 5.97073 10.5734 6.92711 7.55695 4.9764 3.79766 numMergedOcc 0
53 mol 277 unq 11 iso 0 dist 5.97073 10.5734 6.92711 6.26644 6.36559 7.07613 numMergedOcc 0
54 mol 277 unq 12 iso 0 dist 8.23147 6.40883 5.46926 5.00704 7.42932 5.9732 numMergedOcc 0
55 mol 277 unq 13 iso 0 dist 8.23147 6.79352 5.13913 5.00704 7.42932 3.79766 numMergedOcc 0
56 mol 277 unq 14 iso 0 dist 6.49176 11.7592 9.35539 5.00704 4.9764 13.2853 numMergedOcc 0
57 mol 277 unq 15 iso 0 dist 6.49176 11.7592 9.35539 5.23954 6.36559 12.4985 numMergedOcc 0
58 mol 277 unq 16 iso 0 dist 6.49176 6.40883 8.9682 5.00704 4.9764 5.9732 numMergedOcc 0
59 mol 277 unq 17 iso 0 dist 6.49176 6.40883 8.9682 5.23954 6.36559 8.61922 numMergedOcc 0
60 mol 277 unq 18 iso 0 dist 6.49176 6.79352 6.92711 5.00704 4.9764 3.79766 numMergedOcc 0
61 mol 277 unq 19 iso 0 dist 6.49176 6.79352 6.92711 5.23954 6.36559 7.07613 numMergedOcc 0
62 mol 277 unq 20 iso 0 dist 8.20217 6.68571 5.46926 10.4891 7.42932 5.9732 numMergedOcc 0
63 mol 277 unq 21 iso 0 dist 8.20217 9.44642 5.13913 10.4891 7.42932 3.79766 numMergedOcc 0
64 mol 292 unq 0 iso 0 dist 6.02089 6.38012 9.90967 5.92057 9.93746 5.04658 numMergedOcc 0
65 mol 292 unq 1 iso 0 dist 6.02089 6.03672 9.9886 5.92057 9.93746 3.44186 numMergedOcc 0
66 mol 292 unq 2 iso 0 dist 6.87804 4.77692 7.20674 11.4406 6.69619 8.76061 numMergedOcc 0
67 mol 292 unq 3 iso 0 dist 6.87804 4.77692 7.20674 10.8521 4.49592 9.42231 numMergedOcc 0
68 mol 292 unq 4 iso 0 dist 6.87804 6.38012 8.38121 11.4406 6.69619 12.1704 numMergedOcc 0
69 mol 292 unq 5 iso 0 dist 6.87804 6.38012 8.38121 10.8521 4.49592 11.9106 numMergedOcc 0
70 mol 292 unq 6 iso 0 dist 8.54692 9.76733 9.46442 9.43281 9.96374 3.08474 numMergedOcc 0
71 mol 292 unq 7 iso 0 dist 8.54692 9.76733 9.46442 5.01465 5.41432 7.07029 numMergedOcc 0
72 mol 292 unq 8 iso 0 dist 8.54692 9.47804 7.30758 9.43281 9.96374 6.12546 numMergedOcc 0
73 mol 292 unq 9 iso 0 dist 8.54692 9.47804 7.30758 5.01465 5.41432 5.21887 numMergedOcc 0
74 mol 292 unq 10 iso 0 dist 8.54692 4.13273 9.5785 9.43281 9.96374 12.0714 numMergedOcc 0
75 mol 292 unq 11 iso 0 dist 8.54692 4.13273 9.5785 5.01465 5.41432 5.33188 numMergedOcc 0
76 mol 292 unq 12 iso 0 dist 8.54692 4.58207 9.76319 9.43281 9.96374 12.7236 numMergedOcc 0
77 mol 292 unq 13 iso 0 dist 8.54692 4.58207 9.76319 5.01465 5.41432 8.5186 numMergedOcc 0
78 mol 292 unq 14 iso 0 dist 6.07571 11.6413 7.20674 7.86088 6.69619 8.76061 numMergedOcc 0
79 mol 292 unq 15 iso 0 dist 6.07571 11.6413 7.20674 4.34603 4.49592 9.42231 numMergedOcc 0
80 mol 292 unq 16 iso 0 dist 6.07571 14.3549 8.38121 7.86088 6.69619 12.1704 numMergedOcc 0
81 mol 292 unq 17 iso 0 dist 6.07571 14.3549 8.38121 4.34603 4.49592 11.9106 numMergedOcc 0
