0 mol 8 unq 0 iso 0 dist 8.76702 9.69819 6.22971 4.11115 8.89145 12.1071 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.27477 9.69819 10.3253 4.11115 6.92865 12.1071 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 8.48453 7.02884 4.03817 5.21083 6.53817 6.80314 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 8.80499 7.02884 5.12703 5.21083 9.81769 6.80314 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 8.61163 5.80996 5.10859 12.4671 8.62669 11.5187 numMergedOcc 0
5 mol 53 unq 1 iso 0 dist 7.80805 5.66861 5.10859 8.86683 8.62669 11.5187 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 6.6606 8.14607 9.12845 9.1401 7.14865 15.1941 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.65229 6.73172 5.39346 11.4776 5.81552 10.67 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 6.96824 5.6688 6.29863 13.2658 9.63295 14.0071 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 7.92766 6.21588 5.86489 3.96829 7.7292 8.82861 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 6.32652 6.21588 11.2903 3.96829 6.27396 8.82861 numMergedOcc 0
11 mol 214 unq 0 iso 0 dist 8.3035 8.07237 7.8472 10.8341 9.4835 11.7756 numMergedOcc 0
12 mol 250 unq 0 iso 0 dist 6.18342 9.5174 10.8792 7.09073 8.21206 16.2362 numMergedOcc 0
13 mol 253 unq 0 iso 0 dist 5.76077 7.06589 5.78064 9.07394 8.53729 9.29788 numMergedOcc 0
14 mol 253 unq 1 iso 0 dist 5.76077 7.06589 5.78064 11.6981 8.07341 9.50983 numMergedOcc 0
15 mol 253 unq 2 iso 0 dist 7.0247 8.70383 5.78064 14.7046 8.53729 9.29788 numMergedOcc 0
16 mol 253 unq 3 iso 0 dist 7.0247 8.70383 5.78064 12.0836 8.07341 9.50983 numMergedOcc 0
17 mol 261 unq 0 iso 0 dist 7.7309 5.83338 6.65675 11.0146 9.43169 11.5569 numMergedOcc 0
18 mol 276 unq 0 iso 0 dist 6.24808 8.74282 5.41235 7.74891 8.95876 13.8201 numMergedOcc 0
19 mol 282 unq 0 iso 0 dist 7.70229 5.94224 8.2662 5.64349 6.84554 10.5547 numMergedOcc 0
20 mol 282 unq 1 iso 0 dist 7.90792 5.94224 6.6348 5.64349 9.51581 10.5547 numMergedOcc 0
