0 mol 61 unq 0 iso 0 dist 7.63526 8.05989 7.46994 12.297 5.3464 9.63008 numMergedOcc 0
1 mol 61 unq 1 iso 0 dist 7.63526 8.05989 7.46994 10.6988 6.19026 8.07958 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 6.02731 7.29999 6.04903 14.3125 9.70436 8.74341 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.33276 11.3473 7.09065 13.1814 9.68856 6.18729 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 7.27601 7.41949 6.51395 14.4229 10.9396 9.29144 numMergedOcc 0
5 mol 128 unq 0 iso 0 dist 9.38149 6.31583 7.75012 9.53955 5.41268 5.89919 numMergedOcc 0
6 mol 128 unq 1 iso 0 dist 9.38149 6.31583 7.75012 13.2225 6.78058 8.04178 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 6.03852 5.29975 5.26989 11.9108 9.90045 7.6461 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 6.03852 5.29975 5.26989 6.55143 4.34943 7.1093 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 6.03852 5.29975 5.26989 4.35548 4.50791 7.36421 numMergedOcc 0
10 mol 141 unq 3 iso 0 dist 6.26056 5.29975 7.76442 11.9108 10.0807 7.6461 numMergedOcc 0
11 mol 141 unq 4 iso 0 dist 6.26056 5.29975 7.76442 6.55143 9.87387 7.1093 numMergedOcc 0
12 mol 141 unq 5 iso 0 dist 6.26056 5.29975 7.76442 4.35548 4.40308 7.36421 numMergedOcc 0
13 mol 141 unq 6 iso 0 dist 8.97069 6.38237 5.26989 9.90615 9.90045 7.6461 numMergedOcc 0
14 mol 141 unq 7 iso 0 dist 8.97069 6.38237 5.26989 11.1448 4.34943 7.1093 numMergedOcc 0
15 mol 141 unq 8 iso 0 dist 8.97069 6.38237 5.26989 7.5024 4.50791 7.36421 numMergedOcc 0
16 mol 141 unq 9 iso 0 dist 5.7251 6.38237 7.76442 9.90615 10.0807 7.6461 numMergedOcc 0
17 mol 141 unq 10 iso 0 dist 5.7251 6.38237 7.76442 11.1448 9.87387 7.1093 numMergedOcc 0
18 mol 141 unq 11 iso 0 dist 5.7251 6.38237 7.76442 7.5024 4.40308 7.36421 numMergedOcc 0
19 mol 146 unq 0 iso 0 dist 6.28491 10.8638 9.44952 14.8544 9.31627 9.39237 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 6.27438 6.4725 9.47117 13.9222 16.3258 8.94219 numMergedOcc 0
21 mol 243 unq 0 iso 0 dist 7.24253 11.4546 6.66959 11.2792 4.35114 8.08534 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 6.99454 7.27547 5.40318 10.4666 4.40079 5.88787 numMergedOcc 0
23 mol 271 unq 0 iso 0 dist 8.97962 6.75816 5.81266 5.82864 4.91325 6.71956 numMergedOcc 0
24 mol 271 unq 1 iso 0 dist 8.97962 6.75816 5.81266 9.55582 4.22972 7.2452 numMergedOcc 0
25 mol 280 unq 0 iso 0 dist 9.44925 12.6974 5.80452 14.418 6.58462 7.10608 numMergedOcc 0
26 mol 280 unq 1 iso 0 dist 9.44925 10.4861 7.82157 14.418 6.58462 7.22993 numMergedOcc 0
