0 mol 17 unq 0 iso 0 dist 6.53817 9.78918 5.67637 10.8117 9.78331 7.25951 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.53817 6.80314 4.03817 10.8117 9.78331 7.92012 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.87895 7.06532 6.38336 5.076 9.12854 11.4596 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 8.37503 8.90581 4.94076 7.07473 8.1284 11.1804 numMergedOcc 0
4 mol 36 unq 0 iso 0 dist 6.29647 9.53334 5.52411 7.73079 8.07928 10.8682 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.20865 7.98039 10.4027 9.83193 7.5242 7.14031 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 9.0361 9.2062 4.48396 13.32 8.31932 8.88394 numMergedOcc 0
7 mol 124 unq 0 iso 0 dist 7.23052 9.18949 14.8831 5.34732 6.96281 14.4228 numMergedOcc 0
8 mol 155 unq 0 iso 0 dist 8.66709 9.83653 6.3363 12.1461 6.53347 12.8473 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 6.01711 6.4751 11.5561 6.4423 9.61462 5.25109 numMergedOcc 0
10 mol 171 unq 1 iso 0 dist 6.01711 5.75085 10.844 6.4423 9.61462 8.21618 numMergedOcc 0
11 mol 174 unq 0 iso 0 dist 4.93781 9.31454 10.3406 10.4483 8.87569 17.8124 numMergedOcc 0
12 mol 174 unq 1 iso 0 dist 4.93781 9.31454 10.3406 12.0746 9.87122 17.5075 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 7.7292 8.82861 5.86489 16.5925 9.68728 10.2072 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 6.27396 8.82861 11.2903 7.76353 9.1458 13.3683 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 7.46199 8.51736 9.5662 7.71103 9.96262 12.4284 numMergedOcc 0
16 mol 271 unq 0 iso 0 dist 8.32351 5.75889 5.53238 6.38496 8.98576 5.92274 numMergedOcc 0
17 mol 273 unq 0 iso 0 dist 6.54753 9.57659 10.199 7.10817 8.83865 15.201 numMergedOcc 0
18 mol 273 unq 1 iso 0 dist 6.54753 7.8424 5.81246 7.10817 8.83865 13.2096 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 9.79674 9.35929 6.09457 7.28382 8.91672 12.6127 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 8.40961 9.38952 6.19336 5.87081 9.76787 6.73712 numMergedOcc 0
21 mol 284 unq 0 iso 0 dist 8.08993 4.87349 10.6664 7.98227 7.8343 10.6861 numMergedOcc 0
22 mol 284 unq 1 iso 0 dist 7.34344 4.87349 4.50325 6.50962 6.78191 7.34931 numMergedOcc 0
