0 mol 7 unq 0 iso 0 dist 5.99972 5.99459 6.12483 7.78327 3.54153 7.00508 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.70827 6.6219 4.04519 8.23075 12.2271 10.1923 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.70827 6.6219 4.04519 4.7841 12.6431 9.92483 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.70827 5.68215 13.7009 8.23075 12.2271 9.24731 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.70827 5.68215 13.7009 4.7841 12.6431 3.53396 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 6.73939 6.6219 12.5545 8.23075 12.2839 10.1923 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 6.73939 6.6219 12.5545 4.7841 6.22954 9.92483 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 6.73939 5.68215 4.08755 8.23075 12.2839 9.24731 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 6.73939 5.68215 4.08755 4.7841 6.22954 3.53396 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 8.6653 7.6114 10.8122 7.03372 10.3493 9.34154 numMergedOcc 0
10 mol 32 unq 0 iso 0 dist 7.99969 7.26268 6.30042 8.91596 10.8132 6.37026 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 7.68678 8.96727 5.66912 7.17488 8.76454 10.5853 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 7.68678 8.01308 5.76523 7.17488 8.76454 5.11422 numMergedOcc 0
13 mol 72 unq 0 iso 0 dist 9.27838 7.12321 14.005 4.86198 13.6186 4.38233 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 6.02816 8.72682 13.952 8.62079 12.0718 14.0236 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 6.02816 6.45841 6.26495 8.62079 12.0718 11.9118 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 6.02816 5.61588 8.26195 8.62079 12.0718 10.0644 numMergedOcc 0
17 mol 73 unq 3 iso 0 dist 6.02816 7.83244 12.382 8.62079 12.0718 12.1501 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 7.54568 7.7068 4.93735 8.04242 13.5973 11.1225 numMergedOcc 0
19 mol 92 unq 0 iso 0 dist 5.37007 7.13008 6.26082 4.17838 3.77771 7.35325 numMergedOcc 0
20 mol 113 unq 0 iso 0 dist 8.8822 8.80934 7.1951 7.02367 5.40648 3.52445 numMergedOcc 0
21 mol 113 unq 1 iso 0 dist 8.8822 8.80934 7.1951 9.30832 15.5674 10.4701 numMergedOcc 0
22 mol 113 unq 2 iso 0 dist 9.66219 8.80934 3.84573 7.02367 3.52111 3.52445 numMergedOcc 0
23 mol 113 unq 3 iso 0 dist 9.66219 8.80934 3.84573 9.30832 13.7232 10.4701 numMergedOcc 0
24 mol 122 unq 0 iso 0 dist 8.88537 6.00603 6.29388 4.42563 8.90201 3.17342 numMergedOcc 0
25 mol 122 unq 1 iso 0 dist 9.23819 6.00603 9.83972 4.42563 11.3935 3.17342 numMergedOcc 0
26 mol 143 unq 0 iso 0 dist 7.78652 7.36975 12.207 8.99891 14.3396 14.4074 numMergedOcc 0
27 mol 143 unq 1 iso 0 dist 7.78652 5.40637 10.0079 8.99891 14.3396 5.94217 numMergedOcc 0
28 mol 143 unq 2 iso 0 dist 8.91301 7.36975 14.7271 8.99891 12.476 14.4074 numMergedOcc 0
29 mol 143 unq 3 iso 0 dist 8.91301 5.40637 9.05366 8.99891 12.476 5.94217 numMergedOcc 0
30 mol 168 unq 0 iso 0 dist 7.44629 6.02086 4.02702 8.92592 5.71136 3.5168 numMergedOcc 0
31 mol 168 unq 1 iso 0 dist 7.44629 6.02086 4.02702 9.57452 5.46307 5.43054 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 9.39352 9.63417 6.43397 9.19156 11.8094 14.8784 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 6.22122 8.59874 6.39406 9.70481 13.4378 18.0236 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 5.94469 6.64173 4.98436 8.29467 3.63671 5.09584 numMergedOcc 0
35 mol 181 unq 2 iso 0 dist 5.94469 9.01624 11.9796 8.29467 3.63671 11.4645 numMergedOcc 0
36 mol 181 unq 3 iso 0 dist 5.94469 9.55105 12.3589 8.29467 3.63671 11.5807 numMergedOcc 0
37 mol 184 unq 0 iso 0 dist 6.42735 8.97589 3.7949 9.84566 5.05856 6.68311 numMergedOcc 0
38 mol 184 unq 1 iso 0 dist 6.42735 8.97589 3.7949 8.22001 5.69882 3.88698 numMergedOcc 0
39 mol 184 unq 2 iso 0 dist 6.42735 5.96423 4.67256 9.84566 5.05856 9.71065 numMergedOcc 0
40 mol 184 unq 3 iso 0 dist 6.42735 5.96423 4.67256 8.22001 5.69882 3.30691 numMergedOcc 0
41 mol 186 unq 0 iso 0 dist 7.76163 7.05695 3.78314 6.93931 5.70845 5.4547 numMergedOcc 0
42 mol 195 unq 0 iso 0 dist 7.36683 7.41662 8.90504 6.59544 9.10355 5.60873 numMergedOcc 0
43 mol 195 unq 1 iso 0 dist 6.95086 7.41662 5.60628 6.59544 9.70528 5.60873 numMergedOcc 0
44 mol 204 unq 0 iso 0 dist 9.1458 5.94972 4.15888 7.16758 4.79061 5.84475 numMergedOcc 0
45 mol 205 unq 0 iso 0 dist 4.8668 6.49765 9.86388 9.31158 9.43113 6.49396 numMergedOcc 0
46 mol 213 unq 0 iso 0 dist 7.37798 8.21793 8.75651 8.82761 15.5804 14.4808 numMergedOcc 0
47 mol 213 unq 1 iso 0 dist 7.73322 8.21793 8.99471 8.82761 6.78109 14.4808 numMergedOcc 0
48 mol 213 unq 2 iso 0 dist 8.14332 8.22569 6.60887 9.09354 13.1121 10.3403 numMergedOcc 0
49 mol 213 unq 3 iso 0 dist 8.14332 8.22569 6.60887 4.66576 6.78109 5.45331 numMergedOcc 0
50 mol 219 unq 0 iso 0 dist 7.59632 4.33238 5.75906 9.64116 8.27505 8.59843 numMergedOcc 0
51 mol 232 unq 0 iso 0 dist 9.05071 6.71524 11.2243 8.25985 12.159 3.43286 numMergedOcc 0
52 mol 232 unq 1 iso 0 dist 9.05071 6.71524 11.2243 9.27788 8.36223 5.45761 numMergedOcc 0
53 mol 287 unq 0 iso 0 dist 9.65934 7.45616 5.97664 5.30118 5.39801 3.66473 numMergedOcc 0
54 mol 288 unq 0 iso 0 dist 9.65934 7.45616 5.97664 5.30118 5.39801 3.66473 numMergedOcc 0
55 mol 289 unq 0 iso 0 dist 9.65934 7.45616 5.97664 5.30118 5.39801 3.66473 numMergedOcc 0
56 mol 292 unq 0 iso 0 dist 8.87028 9.46442 6.00981 9.96374 8.33171 3.08474 numMergedOcc 0
57 mol 292 unq 1 iso 0 dist 8.87028 9.46442 6.00981 5.41432 4.36814 7.07029 numMergedOcc 0
58 mol 292 unq 2 iso 0 dist 8.87028 7.30758 4.09485 9.96374 8.33171 6.12546 numMergedOcc 0
59 mol 292 unq 3 iso 0 dist 8.87028 7.30758 4.09485 5.41432 4.36814 5.21887 numMergedOcc 0
60 mol 292 unq 4 iso 0 dist 8.87028 9.5785 7.31215 9.96374 8.33171 12.0714 numMergedOcc 0
61 mol 292 unq 5 iso 0 dist 8.87028 9.5785 7.31215 5.41432 4.36814 5.33188 numMergedOcc 0
62 mol 292 unq 6 iso 0 dist 8.87028 9.76319 12.3226 9.96374 8.33171 12.7236 numMergedOcc 0
63 mol 292 unq 7 iso 0 dist 8.87028 9.76319 12.3226 5.41432 4.36814 8.5186 numMergedOcc 0
64 mol 292 unq 8 iso 0 dist 7.07965 7.20674 13.8094 6.69619 8.31265 8.76061 numMergedOcc 0
65 mol 292 unq 9 iso 0 dist 7.07965 7.20674 13.8094 4.49592 5.06937 9.42231 numMergedOcc 0
66 mol 292 unq 10 iso 0 dist 7.07965 8.38121 13.8468 6.69619 8.31265 12.1704 numMergedOcc 0
67 mol 292 unq 11 iso 0 dist 7.07965 8.38121 13.8468 4.49592 5.06937 11.9106 numMergedOcc 0
