0 mol 9 unq 0 iso 0 dist 9.36946 10.172 7.9944 5.4068 7.032 5.06358 6.78554 6.32226 6.02809 4.98827 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 9.36946 5.4068 7.032 10.172 7.9944 5.06358 6.78554 6.32226 4.98827 6.02809 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.41365 6.92576 7.48847 13.4414 6.92532 10.8007 10.1168 6.39966 6.42867 4.97119 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 8.41365 13.4414 6.92532 6.92576 7.48847 10.8007 10.1168 6.39966 4.97119 6.42867 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.41365 6.92576 7.48847 10.5285 6.36455 10.6598 10.1168 6.39966 6.42867 6.01808 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 8.41365 10.5285 6.36455 6.92576 7.48847 10.6598 10.1168 6.39966 6.01808 6.42867 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 8.41365 13.4414 6.92532 10.5285 6.36455 5.03957 10.1168 6.39966 4.97119 6.01808 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 8.41365 10.5285 6.36455 13.4414 6.92532 5.03957 10.1168 6.39966 6.01808 4.97119 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 5.78238 9.59761 6.60423 5.641 7.83786 7.05502 12.1924 9.69752 4.32034 9.6469 numMergedOcc 0
9 mol 24 unq 0 iso 1 dist 5.78238 5.641 7.83786 9.59761 6.60423 7.05502 12.1924 9.69752 9.6469 4.32034 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 5.78238 9.59761 6.60423 5.641 7.83786 7.05502 14.9821 9.36461 8.52463 14.6654 numMergedOcc 0
11 mol 24 unq 1 iso 1 dist 5.78238 5.641 7.83786 9.59761 6.60423 7.05502 14.9821 9.36461 14.6654 8.52463 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 7.5344 8.25445 8.86329 11.8349 8.71039 5.55373 11.4585 8.92828 10.3369 7.92788 numMergedOcc 0
13 mol 131 unq 0 iso 1 dist 7.5344 11.8349 8.71039 8.25445 8.86329 5.55373 11.4585 8.92828 7.92788 10.3369 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 7.5344 8.25445 8.86329 11.8349 8.71039 5.55373 6.14427 5.56627 7.7567 8.23791 numMergedOcc 0
15 mol 131 unq 1 iso 1 dist 7.5344 11.8349 8.71039 8.25445 8.86329 5.55373 6.14427 5.56627 8.23791 7.7567 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 9.05979 7.10544 9.56197 10.591 7.24795 9.41955 13.7214 7.46987 9.74148 7.30024 numMergedOcc 0
17 mol 186 unq 0 iso 1 dist 9.05979 10.591 7.24795 7.10544 9.56197 9.41955 13.7214 7.46987 7.30024 9.74148 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 9.05979 7.10544 9.56197 8.86145 8.64409 8.04815 13.7214 7.46987 9.74148 11.6919 numMergedOcc 0
19 mol 186 unq 1 iso 1 dist 9.05979 8.86145 8.64409 7.10544 9.56197 8.04815 13.7214 7.46987 11.6919 9.74148 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 9.05979 7.10544 9.56197 10.8899 7.60202 5.92513 13.7214 7.46987 9.74148 5.3967 numMergedOcc 0
21 mol 186 unq 2 iso 1 dist 9.05979 10.8899 7.60202 7.10544 9.56197 5.92513 13.7214 7.46987 5.3967 9.74148 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 9.05979 10.591 7.24795 8.86145 8.64409 13.684 13.7214 7.46987 7.30024 11.6919 numMergedOcc 0
23 mol 186 unq 1 iso 1 dist 9.05979 8.86145 8.64409 10.591 7.24795 13.684 13.7214 7.46987 11.6919 7.30024 numMergedOcc 0
24 mol 186 unq 2 iso 0 dist 9.05979 10.591 7.24795 10.8899 7.60202 9.45987 13.7214 7.46987 7.30024 5.3967 numMergedOcc 0
25 mol 186 unq 2 iso 1 dist 9.05979 10.8899 7.60202 10.591 7.24795 9.45987 13.7214 7.46987 5.3967 7.30024 numMergedOcc 0
26 mol 186 unq 2 iso 0 dist 9.05979 8.86145 8.64409 10.8899 7.60202 7.18269 13.7214 7.46987 11.6919 5.3967 numMergedOcc 0
27 mol 186 unq 2 iso 1 dist 9.05979 10.8899 7.60202 8.86145 8.64409 7.18269 13.7214 7.46987 5.3967 11.6919 numMergedOcc 0
28 mol 194 unq 0 iso 0 dist 9.13708 5.03763 6.26839 12.8318 8.12346 8.0179 13.9769 5.68348 11.6598 12.0887 numMergedOcc 0
29 mol 194 unq 0 iso 1 dist 9.13708 12.8318 8.12346 5.03763 6.26839 8.0179 13.9769 5.68348 12.0887 11.6598 numMergedOcc 0
30 mol 194 unq 1 iso 0 dist 9.13708 5.03763 6.26839 16.5287 8.83356 14.6506 13.9769 5.68348 11.6598 7.11753 numMergedOcc 0
31 mol 194 unq 1 iso 1 dist 9.13708 16.5287 8.83356 5.03763 6.26839 14.6506 13.9769 5.68348 7.11753 11.6598 numMergedOcc 0
32 mol 194 unq 2 iso 0 dist 9.13708 5.03763 6.26839 11.4735 8.2654 8.48054 13.9769 5.68348 11.6598 12.8755 numMergedOcc 0
33 mol 194 unq 2 iso 1 dist 9.13708 11.4735 8.2654 5.03763 6.26839 8.48054 13.9769 5.68348 12.8755 11.6598 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 9.13708 12.8318 8.12346 16.5287 8.83356 13.5632 13.9769 5.68348 12.0887 7.11753 numMergedOcc 0
35 mol 194 unq 1 iso 1 dist 9.13708 16.5287 8.83356 12.8318 8.12346 13.5632 13.9769 5.68348 7.11753 12.0887 numMergedOcc 0
36 mol 194 unq 2 iso 0 dist 9.13708 12.8318 8.12346 11.4735 8.2654 6.26298 13.9769 5.68348 12.0887 12.8755 numMergedOcc 0
37 mol 194 unq 2 iso 1 dist 9.13708 11.4735 8.2654 12.8318 8.12346 6.26298 13.9769 5.68348 12.8755 12.0887 numMergedOcc 0
38 mol 194 unq 2 iso 0 dist 9.13708 16.5287 8.83356 11.4735 8.2654 11.6097 13.9769 5.68348 7.11753 12.8755 numMergedOcc 0
39 mol 194 unq 2 iso 1 dist 9.13708 11.4735 8.2654 16.5287 8.83356 11.6097 13.9769 5.68348 12.8755 7.11753 numMergedOcc 0
40 mol 218 unq 0 iso 0 dist 9.71415 13.4459 8.86175 13.3081 6.29511 4.72474 14.3098 9.32945 4.92618 7.84019 numMergedOcc 0
41 mol 218 unq 0 iso 1 dist 9.71415 13.3081 6.29511 13.4459 8.86175 4.72474 14.3098 9.32945 7.84019 4.92618 numMergedOcc 0
42 mol 261 unq 0 iso 0 dist 9.62681 11.0719 5.26434 15.7058 8.60026 7.00201 5.22824 8.61563 7.39176 12.8544 numMergedOcc 0
43 mol 261 unq 0 iso 1 dist 9.62681 15.7058 8.60026 11.0719 5.26434 7.00201 5.22824 8.61563 12.8544 7.39176 numMergedOcc 0
44 mol 272 unq 0 iso 0 dist 6.49719 11.8274 9.64269 5.81271 6.88809 6.6954 7.70017 9.18635 10.2227 5.02308 numMergedOcc 0
45 mol 272 unq 0 iso 1 dist 6.49719 5.81271 6.88809 11.8274 9.64269 6.6954 7.70017 9.18635 5.02308 10.2227 numMergedOcc 0
46 mol 272 unq 1 iso 0 dist 6.49719 11.8274 9.64269 11.2831 8.46061 8.12676 7.70017 9.18635 10.2227 6.32008 numMergedOcc 0
47 mol 272 unq 1 iso 1 dist 6.49719 11.2831 8.46061 11.8274 9.64269 8.12676 7.70017 9.18635 6.32008 10.2227 numMergedOcc 0
48 mol 272 unq 1 iso 0 dist 6.49719 5.81271 6.88809 11.2831 8.46061 7.34222 7.70017 9.18635 5.02308 6.32008 numMergedOcc 0
49 mol 272 unq 1 iso 1 dist 6.49719 11.2831 8.46061 5.81271 6.88809 7.34222 7.70017 9.18635 6.32008 5.02308 numMergedOcc 0
50 mol 272 unq 2 iso 0 dist 5.7564 11.082 9.64269 5.82123 6.88809 6.6954 4.49628 9.18635 10.2227 5.02308 numMergedOcc 0
51 mol 272 unq 2 iso 1 dist 5.7564 5.82123 6.88809 11.082 9.64269 6.6954 4.49628 9.18635 5.02308 10.2227 numMergedOcc 0
52 mol 272 unq 3 iso 0 dist 5.7564 11.082 9.64269 6.72149 8.46061 8.12676 4.49628 9.18635 10.2227 6.32008 numMergedOcc 0
53 mol 272 unq 3 iso 1 dist 5.7564 6.72149 8.46061 11.082 9.64269 8.12676 4.49628 9.18635 6.32008 10.2227 numMergedOcc 0
54 mol 272 unq 3 iso 0 dist 5.7564 5.82123 6.88809 6.72149 8.46061 7.34222 4.49628 9.18635 5.02308 6.32008 numMergedOcc 0
55 mol 272 unq 3 iso 1 dist 5.7564 6.72149 8.46061 5.82123 6.88809 7.34222 4.49628 9.18635 6.32008 5.02308 numMergedOcc 0
56 mol 279 unq 0 iso 0 dist 7.92537 13.9298 8.29305 9.73122 6.43341 6.67478 8.23428 9.30921 9.37316 5.58929 numMergedOcc 0
57 mol 279 unq 0 iso 1 dist 7.92537 9.73122 6.43341 13.9298 8.29305 6.67478 8.23428 9.30921 5.58929 9.37316 numMergedOcc 0
