0 mol 9 unq 0 iso 0 dist 5.87266 5.41626 7.05346 14.9544 9.82483 13.5628 11.607 8.076 8.50424 6.0397 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.60462 7.06965 7.05346 10.7245 9.82483 13.5628 5.94302 8.076 8.50424 6.0397 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.78238 9.59761 6.60423 8.08994 8.62284 5.39241 12.1924 9.69752 4.32034 5.90981 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 5.78238 9.59761 6.60423 8.08994 8.62284 5.39241 14.9821 9.36461 8.52463 13.719 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 5.78238 5.641 7.83786 8.08994 8.62284 4.51549 12.1924 9.69752 9.6469 5.90981 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 5.78238 5.641 7.83786 8.08994 8.62284 4.51549 14.9821 9.36461 14.6654 13.719 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 8.6578 6.07691 7.52117 11.6488 9.17518 5.87283 6.30672 7.03307 4.55437 9.05795 numMergedOcc 0
7 mol 44 unq 1 iso 0 dist 8.6578 6.07691 7.52117 11.6488 9.17518 5.87283 10.7753 7.25707 6.16231 6.37181 numMergedOcc 0
8 mol 44 unq 2 iso 0 dist 8.6578 6.07691 7.52117 15.1165 8.21833 10.6223 6.30672 7.03307 4.55437 11.814 numMergedOcc 0
9 mol 44 unq 3 iso 0 dist 8.6578 6.07691 7.52117 15.1165 8.21833 10.6223 10.7753 7.25707 6.16231 7.77924 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 9.13708 5.03763 6.26839 18.6899 9.77862 15.9311 13.9769 5.68348 11.6598 5.63279 numMergedOcc 0
11 mol 194 unq 1 iso 0 dist 9.13708 12.8318 8.12346 18.6899 9.77862 13.7758 13.9769 5.68348 12.0887 5.63279 numMergedOcc 0
12 mol 194 unq 2 iso 0 dist 9.13708 16.5287 8.83356 18.6899 9.77862 5.38925 13.9769 5.68348 7.11753 5.63279 numMergedOcc 0
13 mol 194 unq 3 iso 0 dist 9.13708 11.4735 8.2654 18.6899 9.77862 14.2415 13.9769 5.68348 12.8755 5.63279 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 8.53457 13.2569 7.63018 12.7024 6.4829 10.9823 11.3555 5.57779 5.85636 5.96222 numMergedOcc 0
15 mol 210 unq 1 iso 0 dist 8.53457 13.2569 7.63018 12.7024 6.4829 10.9823 4.94588 7.05649 10.0337 10.1011 numMergedOcc 0
16 mol 210 unq 2 iso 0 dist 8.53457 13.2569 7.63018 12.7024 6.4829 10.9823 6.61563 6.78579 7.67559 12.5026 numMergedOcc 0
17 mol 248 unq 0 iso 0 dist 7.21518 6.42363 6.77954 11.2533 8.42446 5.59351 5.81577 7.97135 4.30004 9.5697 numMergedOcc 0
18 mol 261 unq 0 iso 0 dist 9.62681 11.0719 5.26434 12.798 9.24121 7.49174 5.22824 8.61563 7.39176 10.0785 numMergedOcc 0
19 mol 261 unq 1 iso 0 dist 9.62681 15.7058 8.60026 12.798 9.24121 5.22253 5.22824 8.61563 12.8544 10.0785 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 6.49719 11.8274 9.64269 12.1002 7.55161 4.72202 7.70017 9.18635 10.2227 12.015 numMergedOcc 0
21 mol 272 unq 1 iso 0 dist 6.49719 5.81271 6.88809 12.1002 7.55161 8.5751 7.70017 9.18635 5.02308 12.015 numMergedOcc 0
22 mol 272 unq 2 iso 0 dist 6.49719 11.2831 8.46061 12.1002 7.55161 8.52877 7.70017 9.18635 6.32008 12.015 numMergedOcc 0
23 mol 272 unq 3 iso 0 dist 5.7564 11.082 9.64269 11.0654 7.55161 4.72202 4.49628 9.18635 10.2227 12.015 numMergedOcc 0
24 mol 272 unq 4 iso 0 dist 5.7564 5.82123 6.88809 11.0654 7.55161 8.5751 4.49628 9.18635 5.02308 12.015 numMergedOcc 0
25 mol 272 unq 5 iso 0 dist 5.7564 6.72149 8.46061 11.0654 7.55161 8.52877 4.49628 9.18635 6.32008 12.015 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 7.92537 13.9298 8.29305 10.8222 8.23056 5.3373 8.23428 9.30921 9.37316 6.29016 numMergedOcc 0
27 mol 279 unq 1 iso 0 dist 7.92537 9.73122 6.43341 10.8222 8.23056 7.18967 8.23428 9.30921 5.58929 6.29016 numMergedOcc 0
28 mol 282 unq 0 iso 0 dist 9.72264 11.2259 5.23193 9.88329 9.96468 7.30164 5.04943 8.53065 7.55098 6.18986 numMergedOcc 0
29 mol 282 unq 1 iso 0 dist 9.72264 11.2259 5.23193 9.88329 9.96468 7.30164 15.7367 8.67489 6.46616 9.09482 numMergedOcc 0
30 mol 282 unq 2 iso 0 dist 9.72264 11.2259 5.23193 12.6428 9.59817 8.36249 5.04943 8.53065 7.55098 10.2999 numMergedOcc 0
31 mol 282 unq 3 iso 0 dist 9.72264 11.2259 5.23193 12.6428 9.59817 8.36249 15.7367 8.67489 6.46616 6.21176 numMergedOcc 0
