0 mol 58 unq 0 iso 0 dist 8.52969 4.98107 9.55426 6.10173 7.21955 5.74871 7.15486 10.6169 9.4099 12.3035 numMergedOcc 0
1 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 6.29383 7.38135 11.2312 13.6601 8.8807 6.65086 15.4031 numMergedOcc 0
2 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 6.29383 7.38135 11.2312 17.6466 12.6515 6.56369 17.2419 numMergedOcc 0
3 mol 100 unq 2 iso 0 dist 5.09688 12.2879 7.47343 6.29383 7.38135 11.2312 18.8484 13.887 9.30209 19.8941 numMergedOcc 0
4 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 10.728 7.38135 11.2312 16.1978 8.8807 6.65086 15.4031 numMergedOcc 0
5 mol 100 unq 4 iso 0 dist 9.26343 16.4386 7.47343 10.728 7.38135 11.2312 21.6939 12.6515 6.56369 17.2419 numMergedOcc 0
6 mol 100 unq 5 iso 0 dist 9.26343 16.4386 7.47343 10.728 7.38135 11.2312 21.5791 13.887 9.30209 19.8941 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 9.81728 9.36851 10.7293 16.3001 9.05135 9.61051 16.0242 numMergedOcc 0
8 mol 129 unq 1 iso 0 dist 8.14071 13.1328 5.83384 6.95825 4.97175 7.29399 16.3001 9.05135 9.61051 13.4182 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 10.0674 7.80532 7.41674 9.54911 5.79898 9.89303 5.83771 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 10.0674 7.80532 9.87376 15.1189 8.80819 8.94367 10.5252 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 6.99089 12.6542 6.49416 10.0674 7.80532 9.87376 11.6481 5.00817 6.37586 10.7586 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 11.7605 9.44367 5.4555 12.2418 5.56175 8.94056 7.90267 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 7.80643 6.52984 7.44554 11.7605 9.44367 5.4555 10.8849 8.38403 9.83699 10.3379 numMergedOcc 0
14 mol 156 unq 2 iso 0 dist 7.80643 6.52984 7.44554 5.95655 9.47433 11.9952 12.2418 5.56175 8.94056 14.7758 numMergedOcc 0
15 mol 156 unq 3 iso 0 dist 7.80643 6.52984 7.44554 5.95655 9.47433 11.9952 10.8849 8.38403 9.83699 13.0431 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.07676 6.05039 8.03334 6.28923 6.46704 4.43096 13.5702 13.2049 9.1374 12.4878 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 6.07676 6.05039 8.03334 6.10683 6.59025 8.04639 13.5702 13.2049 9.1374 10.6908 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 6.96824 8.76337 7.63312 4.75774 5.9176 5.63555 14.2075 8.85576 7.81386 10.4943 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 6.96824 8.76337 7.63312 9.91956 6.41453 7.20191 14.2075 8.85576 7.81386 9.39829 numMergedOcc 0
20 mol 181 unq 4 iso 0 dist 9.25528 18.2027 9.1374 15.4597 8.90963 8.91338 20.7774 13.2049 8.03334 16.082 numMergedOcc 0
21 mol 181 unq 5 iso 0 dist 9.25528 11.4901 5.98885 15.4597 8.90963 9.81073 11.3822 10.1912 9.09537 18.0578 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 8.59262 13.472 9.774 14.201 7.75885 6.45859 13.3597 5.63422 7.7366 6.16414 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 8.93637 14.8074 9.23153 12.5597 6.59716 7.11498 15.9523 10.5449 8.24498 13.1498 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 7.22378 6.8193 6.60405 4.39424 7.21311 5.63675 10.6039 7.26417 6.42289 11.2102 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 10.451 7.98231 8.41846 16.2468 10.582 8.53687 15.5791 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 6.49599 13.8605 7.88519 10.451 7.98231 8.81835 9.34738 4.86771 7.84554 11.6972 numMergedOcc 0
27 mol 259 unq 2 iso 0 dist 6.49599 13.8605 7.88519 10.451 7.98231 8.81835 9.47382 6.96053 7.46176 7.08526 numMergedOcc 0
28 mol 259 unq 3 iso 0 dist 6.49599 13.8605 7.88519 10.451 7.98231 8.81835 14.8529 10.4881 9.18903 15.8414 numMergedOcc 0
29 mol 259 unq 4 iso 0 dist 9.47382 13.8605 7.46176 10.451 7.08526 8.81835 6.49599 6.96053 7.88519 7.98231 numMergedOcc 0
30 mol 259 unq 5 iso 0 dist 9.47382 13.8605 7.46176 10.451 7.08526 8.81835 9.34738 7.64658 7.84554 11.6972 numMergedOcc 0
31 mol 259 unq 6 iso 0 dist 9.47382 13.8605 7.46176 10.451 7.08526 8.81835 14.8529 10.5239 9.18903 15.8414 numMergedOcc 0
