0 mol 24 unq 0 iso 0 dist 7.40392 8.56483 5.59311 10.9024 9.54519 13.5984 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.90024 9.35453 13.5667 14.9559 8.38387 20.2421 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 8.27156 9.51503 10.0059 8.33049 8.1599 8.67162 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.96446 6.15011 8.70803 5.27016 8.4545 5.62309 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 6.70686 6.15011 8.87994 5.27016 7.01176 5.62309 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 8.49531 8.4204 6.71199 4.84407 8.69069 9.49995 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 6.43255 9.88541 9.29894 13.5611 8.3164 15.5751 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.42474 8.65004 12.2656 6.92638 7.53905 12.505 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 7.42474 9.86487 5.76986 6.92638 7.53905 5.42828 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.66715 9.29665 17.3196 13.3005 9.50322 21.4686 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 9.00172 9.29665 16.1302 13.3005 5.82404 21.4686 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.84656 7.85849 5.29786 18.3189 9.60411 12.1527 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 6.44195 8.85675 10.0639 5.32921 9.93555 11.4264 numMergedOcc 0
13 mol 154 unq 1 iso 0 dist 7.34207 8.85675 5.27847 9.95968 6.23399 10.5035 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 6.09874 9.01017 6.06566 14.0799 9.58911 13.2834 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.52413 8.34668 15.1778 16.5529 8.03995 20.7381 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 9.52413 8.76308 8.14815 16.5529 8.03995 15.4618 numMergedOcc 0
17 mol 186 unq 2 iso 0 dist 6.0639 6.0685 7.94756 4.40927 7.80299 10.3854 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 6.45574 4.46919 7.60081 9.7911 8.48065 10.8785 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 8.95071 5.27184 9.52712 9.48296 5.66569 10.483 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 8.95071 5.27184 9.52712 5.05085 6.11137 8.37813 numMergedOcc 0
21 mol 236 unq 2 iso 0 dist 8.95071 7.98527 9.82639 9.48296 5.66569 14.0081 numMergedOcc 0
22 mol 236 unq 3 iso 0 dist 8.95071 7.98527 9.82639 5.05085 6.11137 10.4481 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 8.49415 7.87337 13.6299 8.73438 9.772 10.2019 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 7.151 6.71956 6.28695 12.4082 9.77689 15.2129 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 7.151 6.71956 6.28695 7.47195 8.51931 10.5 numMergedOcc 0
26 mol 277 unq 2 iso 0 dist 8.53324 6.71956 4.37645 7.47195 8.96343 10.5 numMergedOcc 0
27 mol 277 unq 3 iso 0 dist 7.23956 6.71956 7.70529 12.7088 9.29635 16.1262 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 7.95849 8.25538 13.2859 8.55612 9.53313 10.1363 numMergedOcc 0
29 mol 287 unq 1 iso 0 dist 7.95849 8.25538 13.2859 4.91435 7.26542 8.42076 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 7.95849 8.25538 13.2859 8.55612 9.53313 10.1363 numMergedOcc 0
31 mol 288 unq 1 iso 0 dist 7.95849 8.25538 13.2859 4.91435 7.26542 8.42076 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 7.95849 8.25538 13.2859 8.55612 9.53313 10.1363 numMergedOcc 0
33 mol 289 unq 1 iso 0 dist 7.95849 8.25538 13.2859 4.91435 7.26542 8.42076 numMergedOcc 0
