0 mol 6 unq 0 iso 0 dist 8.30543 8.70244 11.7227 4.35789 8.17981 10.9988 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 4.62913 7.8865 6.98179 7.18195 5.9021 11.2497 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 4.62913 7.8865 6.98179 6.70723 8.98466 12.4753 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 7.979 6.36377 5.72175 6.32859 9.31149 10.6144 numMergedOcc 0
4 mol 35 unq 0 iso 0 dist 6.16132 9.466 8.72582 10.0288 9.81737 16.7424 numMergedOcc 0
5 mol 38 unq 0 iso 0 dist 7.96306 5.73067 7.46414 12.6215 7.55357 12.6659 numMergedOcc 0
6 mol 38 unq 1 iso 0 dist 7.96306 5.73067 7.46414 5.47531 5.86972 9.23576 numMergedOcc 0
7 mol 51 unq 0 iso 0 dist 8.55004 7.12423 13.4355 11.5172 9.4097 16.1757 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 7.13958 9.28278 4.80675 4.99299 7.07421 6.29026 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 7.13958 8.78082 7.01358 4.99299 7.07421 11.4199 numMergedOcc 0
10 mol 135 unq 0 iso 0 dist 9.39775 9.42803 7.14273 5.83985 6.76073 10.8216 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 7.7013 8.58906 5.52686 14.2738 8.6609 13.3201 numMergedOcc 0
12 mol 175 unq 1 iso 0 dist 7.7013 8.58906 5.52686 8.62822 6.21546 11.3646 numMergedOcc 0
13 mol 175 unq 2 iso 0 dist 7.7013 8.58906 5.52686 7.44933 6.03184 9.57611 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 5.6568 6.11137 6.49831 10.0728 7.6402 13.61 numMergedOcc 0
15 mol 236 unq 1 iso 0 dist 5.6568 7.89744 6.81625 10.0728 7.6402 10.818 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 9.29888 9.13537 9.76195 4.34203 5.57184 6.83152 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 8.96917 9.10633 8.4988 5.37052 7.41298 11.8952 numMergedOcc 0
18 mol 241 unq 1 iso 0 dist 8.96917 9.10633 8.4988 4.58303 9.99337 11.8978 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 9.52903 5.73834 9.78068 13.2258 6.08181 15.2652 numMergedOcc 0
20 mol 258 unq 1 iso 0 dist 9.52903 5.73834 9.78068 3.95075 7.70189 8.58088 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 8.06908 9.54857 6.18571 7.10624 8.91916 12.2198 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 8.06908 9.54857 6.18571 5.09929 4.55368 7.93997 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 9.81689 7.04833 10.4495 12.7023 9.50814 15.8354 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 7.51446 8.12852 9.80419 8.18304 8.12204 13.7449 numMergedOcc 0
25 mol 271 unq 0 iso 0 dist 9.80493 9.56149 9.63302 13.1235 8.07242 14.033 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 6.28023 9.09967 5.7574 5.66978 6.12202 7.79904 numMergedOcc 0
27 mol 274 unq 1 iso 0 dist 6.28023 8.49076 7.23876 5.66978 6.12202 9.02749 numMergedOcc 0
28 mol 293 unq 0 iso 0 dist 6.04186 9.55282 6.91752 11.3134 8.8788 12.8923 numMergedOcc 0
29 mol 293 unq 1 iso 0 dist 6.04186 6.27435 5.66805 11.3134 8.8788 13.1135 numMergedOcc 0
