0 mol 9 unq 0 iso 0 dist 5.87266 5.41626 7.05346 11.607 8.076 8.50424 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.60462 7.06965 7.05346 5.94302 8.076 8.50424 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 9.36946 10.172 7.9944 6.78554 6.32226 6.02809 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 9.36946 5.4068 7.032 6.78554 6.32226 4.98827 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 8.69493 11.3237 9.27637 5.54438 8.55446 15.0681 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 8.69493 11.3237 9.27637 6.57322 6.59455 11.8296 numMergedOcc 0
6 mol 9 unq 6 iso 0 dist 8.69493 11.3237 9.27637 7.5263 5.71201 5.67536 numMergedOcc 0
7 mol 9 unq 7 iso 0 dist 7.02963 6.32857 9.27637 9.91187 8.55446 15.0681 numMergedOcc 0
8 mol 9 unq 8 iso 0 dist 7.02963 6.32857 9.27637 9.06833 6.59455 11.8296 numMergedOcc 0
9 mol 9 unq 9 iso 0 dist 7.02963 6.32857 9.27637 5.38864 5.71201 5.67536 numMergedOcc 0
10 mol 19 unq 0 iso 0 dist 8.41365 6.92576 7.48847 10.1168 6.39966 6.42867 numMergedOcc 0
11 mol 19 unq 1 iso 0 dist 8.41365 13.4414 6.92532 10.1168 6.39966 4.97119 numMergedOcc 0
12 mol 19 unq 2 iso 0 dist 8.41365 10.5285 6.36455 10.1168 6.39966 6.01808 numMergedOcc 0
13 mol 24 unq 0 iso 0 dist 5.78238 9.59761 6.60423 12.1924 9.69752 4.32034 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 5.78238 9.59761 6.60423 14.9821 9.36461 8.52463 numMergedOcc 0
15 mol 24 unq 2 iso 0 dist 5.78238 5.641 7.83786 12.1924 9.69752 9.6469 numMergedOcc 0
16 mol 24 unq 3 iso 0 dist 5.78238 5.641 7.83786 14.9821 9.36461 14.6654 numMergedOcc 0
17 mol 44 unq 0 iso 0 dist 8.6578 6.07691 7.52117 6.30672 7.03307 4.55437 numMergedOcc 0
18 mol 44 unq 1 iso 0 dist 8.6578 6.07691 7.52117 10.7753 7.25707 6.16231 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 9.23537 15.1847 8.03303 5.00897 7.62738 14.6243 numMergedOcc 0
20 mol 75 unq 0 iso 0 dist 6.13936 5.77958 7.9233 6.21982 7.6433 5.38908 numMergedOcc 0
21 mol 92 unq 0 iso 0 dist 9.53053 7.6662 8.86674 9.44597 7.39179 9.66102 numMergedOcc 0
22 mol 126 unq 0 iso 0 dist 8.8359 9.07346 9.46588 4.43093 5.94233 6.0268 numMergedOcc 0
23 mol 126 unq 1 iso 0 dist 8.8359 9.07346 9.46588 10.6362 8.56219 8.01268 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 7.5344 8.25445 8.86329 11.4585 8.92828 10.3369 numMergedOcc 0
25 mol 131 unq 1 iso 0 dist 7.5344 8.25445 8.86329 6.14427 5.56627 7.7567 numMergedOcc 0
26 mol 131 unq 2 iso 0 dist 7.5344 11.8349 8.71039 11.4585 8.92828 7.92788 numMergedOcc 0
27 mol 131 unq 3 iso 0 dist 7.5344 11.8349 8.71039 6.14427 5.56627 8.23791 numMergedOcc 0
28 mol 156 unq 0 iso 0 dist 8.86912 7.46358 5.38091 10.2977 7.46845 5.81563 numMergedOcc 0
29 mol 162 unq 0 iso 0 dist 7.34321 6.71523 8.00506 4.55978 8.21989 9.0783 numMergedOcc 0
30 mol 175 unq 0 iso 0 dist 5.32236 5.96451 8.0154 5.86269 8.05247 6.29885 numMergedOcc 0
31 mol 175 unq 1 iso 0 dist 5.32236 5.96451 8.0154 10.5222 9.71028 7.27408 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 9.05979 7.10544 9.56197 13.7214 7.46987 9.74148 numMergedOcc 0
33 mol 186 unq 1 iso 0 dist 9.05979 10.591 7.24795 13.7214 7.46987 7.30024 numMergedOcc 0
34 mol 186 unq 2 iso 0 dist 9.05979 8.86145 8.64409 13.7214 7.46987 11.6919 numMergedOcc 0
35 mol 186 unq 3 iso 0 dist 9.05979 10.8899 7.60202 13.7214 7.46987 5.3967 numMergedOcc 0
36 mol 188 unq 0 iso 0 dist 5.77968 5.5682 8.47347 6.00221 5.73306 6.43967 numMergedOcc 0
37 mol 194 unq 0 iso 0 dist 9.13708 5.03763 6.26839 13.9769 5.68348 11.6598 numMergedOcc 0
38 mol 194 unq 1 iso 0 dist 9.13708 12.8318 8.12346 13.9769 5.68348 12.0887 numMergedOcc 0
39 mol 194 unq 2 iso 0 dist 9.13708 16.5287 8.83356 13.9769 5.68348 7.11753 numMergedOcc 0
40 mol 194 unq 3 iso 0 dist 9.13708 11.4735 8.2654 13.9769 5.68348 12.8755 numMergedOcc 0
41 mol 210 unq 0 iso 0 dist 8.53457 13.2569 7.63018 11.3555 5.57779 5.85636 numMergedOcc 0
42 mol 210 unq 1 iso 0 dist 8.53457 13.2569 7.63018 4.94588 7.05649 10.0337 numMergedOcc 0
43 mol 210 unq 2 iso 0 dist 8.53457 13.2569 7.63018 6.61563 6.78579 7.67559 numMergedOcc 0
44 mol 218 unq 0 iso 0 dist 9.71415 13.4459 8.86175 14.3098 9.32945 4.92618 numMergedOcc 0
45 mol 218 unq 1 iso 0 dist 9.71415 13.3081 6.29511 14.3098 9.32945 7.84019 numMergedOcc 0
46 mol 220 unq 0 iso 0 dist 6.50846 4.90657 5.45036 4.39102 5.37796 7.11498 numMergedOcc 0
47 mol 227 unq 0 iso 0 dist 8.84358 5.24186 5.87815 6.80901 7.95359 6.67321 numMergedOcc 0
48 mol 230 unq 0 iso 0 dist 8.02209 6.87235 6.41286 10.4085 8.34416 6.33877 numMergedOcc 0
49 mol 230 unq 1 iso 0 dist 8.02209 6.87235 6.41286 5.50843 6.34832 5.0515 numMergedOcc 0
50 mol 232 unq 0 iso 0 dist 6.29118 4.90814 7.83711 5.39184 6.57921 4.9377 numMergedOcc 0
51 mol 248 unq 0 iso 0 dist 7.21518 6.42363 6.77954 5.81577 7.97135 4.30004 numMergedOcc 0
52 mol 252 unq 0 iso 0 dist 6.88874 5.26867 6.86945 5.53685 7.39391 6.35641 numMergedOcc 0
53 mol 261 unq 0 iso 0 dist 9.62681 11.0719 5.26434 5.22824 8.61563 7.39176 numMergedOcc 0
54 mol 261 unq 1 iso 0 dist 9.62681 15.7058 8.60026 5.22824 8.61563 12.8544 numMergedOcc 0
55 mol 272 unq 0 iso 0 dist 6.49719 11.8274 9.64269 7.70017 9.18635 10.2227 numMergedOcc 0
56 mol 272 unq 1 iso 0 dist 6.49719 5.81271 6.88809 7.70017 9.18635 5.02308 numMergedOcc 0
57 mol 272 unq 2 iso 0 dist 6.49719 11.2831 8.46061 7.70017 9.18635 6.32008 numMergedOcc 0
58 mol 272 unq 3 iso 0 dist 5.7564 11.082 9.64269 4.49628 9.18635 10.2227 numMergedOcc 0
59 mol 272 unq 4 iso 0 dist 5.7564 5.82123 6.88809 4.49628 9.18635 5.02308 numMergedOcc 0
60 mol 272 unq 5 iso 0 dist 5.7564 6.72149 8.46061 4.49628 9.18635 6.32008 numMergedOcc 0
61 mol 279 unq 0 iso 0 dist 7.92537 13.9298 8.29305 8.23428 9.30921 9.37316 numMergedOcc 0
62 mol 279 unq 1 iso 0 dist 7.92537 9.73122 6.43341 8.23428 9.30921 5.58929 numMergedOcc 0
63 mol 282 unq 0 iso 0 dist 9.72264 11.2259 5.23193 5.04943 8.53065 7.55098 numMergedOcc 0
64 mol 282 unq 1 iso 0 dist 9.72264 11.2259 5.23193 15.7367 8.67489 6.46616 numMergedOcc 0
