0 mol 6 unq 0 iso 0 dist 8.30543 8.70244 11.7227 4.35789 8.17981 10.9988 5.89121 8.31647 14.298 5.59667 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 4.62913 7.8865 6.98179 7.18195 5.9021 11.2497 4.60834 6.6051 9.75368 4.86727 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 4.62913 7.8865 6.98179 6.70723 8.98466 12.4753 4.60834 6.6051 9.75368 10.763 numMergedOcc 0
3 mol 35 unq 0 iso 0 dist 6.16132 9.466 8.72582 10.0288 9.81737 16.7424 4.50401 5.28675 9.50235 7.44943 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 8.55004 7.12423 13.4355 11.5172 9.4097 16.1757 7.24502 8.84151 13.4686 6.20413 numMergedOcc 0
5 mol 129 unq 0 iso 0 dist 7.13958 9.28278 4.80675 4.99299 7.07421 6.29026 4.74644 7.6453 8.00624 5.06265 numMergedOcc 0
6 mol 129 unq 1 iso 0 dist 7.13958 8.78082 7.01358 4.99299 7.07421 11.4199 4.74644 7.6453 8.42289 5.06265 numMergedOcc 0
7 mol 236 unq 0 iso 0 dist 5.6568 6.11137 6.49831 10.0728 7.6402 13.61 4.24722 7.74348 5.90804 13.5224 numMergedOcc 0
8 mol 236 unq 1 iso 0 dist 5.6568 7.89744 6.81625 10.0728 7.6402 10.818 4.24722 7.74348 10.7277 13.5224 numMergedOcc 0
9 mol 258 unq 0 iso 0 dist 9.52903 5.73834 9.78068 13.2258 6.08181 15.2652 5.66907 8.10903 9.04358 10.8957 numMergedOcc 0
10 mol 258 unq 1 iso 0 dist 9.52903 5.73834 9.78068 13.2258 6.08181 15.2652 9.6053 7.25618 10.0455 11.0025 numMergedOcc 0
11 mol 258 unq 2 iso 0 dist 9.52903 5.73834 9.78068 3.95075 7.70189 8.58088 5.66907 8.10903 9.04358 5.27718 numMergedOcc 0
12 mol 258 unq 3 iso 0 dist 9.52903 5.73834 9.78068 3.95075 7.70189 8.58088 9.6053 7.25618 10.0455 9.46467 numMergedOcc 0
13 mol 259 unq 0 iso 0 dist 8.06908 9.54857 6.18571 7.10624 8.91916 12.2198 5.99165 8.54422 13.119 6.40534 numMergedOcc 0
14 mol 259 unq 1 iso 0 dist 8.06908 9.54857 6.18571 7.10624 8.91916 12.2198 4.78344 7.67473 10.895 9.57286 numMergedOcc 0
15 mol 259 unq 2 iso 0 dist 8.06908 9.54857 6.18571 5.09929 4.55368 7.93997 5.99165 8.54422 13.119 6.14631 numMergedOcc 0
16 mol 259 unq 3 iso 0 dist 8.06908 9.54857 6.18571 5.09929 4.55368 7.93997 4.78344 7.67473 10.895 6.89689 numMergedOcc 0
17 mol 265 unq 0 iso 0 dist 9.81689 7.04833 10.4495 12.7023 9.50814 15.8354 10.531 7.52632 14.5863 3.89234 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 7.51446 8.12852 9.80419 8.18304 8.12204 13.7449 9.47559 9.39714 16.6569 5.91091 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 6.28023 9.09967 5.7574 5.66978 6.12202 7.79904 5.02003 9.34051 13.1113 10.3702 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 6.28023 8.49076 7.23876 5.66978 6.12202 9.02749 5.02003 9.34051 8.88221 10.3702 numMergedOcc 0
21 mol 293 unq 0 iso 0 dist 6.04186 9.55282 6.91752 11.3134 8.8788 12.8923 6.74585 4.72125 11.5814 8.14268 numMergedOcc 0
22 mol 293 unq 1 iso 0 dist 6.04186 6.27435 5.66805 11.3134 8.8788 13.1135 6.74585 4.72125 5.44043 8.14268 numMergedOcc 0
