0 mol 34 unq 0 iso 0 dist 5.77643 7.02939 8.55901 4.4218 8.90835 4.46241 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 5.77643 6.08327 9.03412 4.4218 8.90835 7.91976 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 8.23418 5.37722 8.59109 6.66825 5.55096 8.70414 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 8.23418 12.8536 8.13782 6.66825 5.55096 6.39184 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.31622 6.26981 8.4517 12.7532 9.32552 6.90629 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 9.29144 4.34088 9.49413 10.9396 6.51395 9.47219 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 6.33375 6.15672 6.4218 11.528 6.21403 7.99114 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 6.96294 4.53891 8.55681 4.46354 5.52683 6.76437 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 6.96294 9.64591 6.2135 4.46354 5.52683 5.39904 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 9.76389 11.0732 8.55681 6.74216 5.52683 6.76437 numMergedOcc 0
10 mol 141 unq 3 iso 0 dist 9.76389 10.6438 6.2135 6.74216 5.52683 5.39904 numMergedOcc 0
11 mol 141 unq 4 iso 0 dist 7.6461 4.41049 6.2135 9.90045 5.26989 8.7258 numMergedOcc 0
12 mol 141 unq 5 iso 0 dist 7.6461 4.41049 6.2135 10.0807 7.76442 6.67552 numMergedOcc 0
13 mol 141 unq 6 iso 0 dist 7.1093 12.3074 6.2135 4.34943 5.26989 8.7258 numMergedOcc 0
14 mol 141 unq 7 iso 0 dist 7.1093 12.3074 6.2135 9.87387 7.76442 6.67552 numMergedOcc 0
15 mol 141 unq 8 iso 0 dist 7.36421 9.581 6.2135 4.50791 5.26989 8.7258 numMergedOcc 0
16 mol 141 unq 9 iso 0 dist 7.36421 9.581 6.2135 4.40308 7.76442 6.67552 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 7.82604 9.09192 8.20656 10.5886 5.95304 4.43678 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 7.82604 12.1848 9.40622 10.5886 5.95304 6.03415 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 8.80672 4.22625 5.89018 10.1877 7.10526 7.34293 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 8.94219 4.42378 8.75834 16.3258 9.47117 17.6349 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 8.94219 13.2284 9.36396 16.3258 9.47117 5.25065 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 7.8126 9.12208 7.27958 6.27651 6.54825 10.1944 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 8.58887 6.36095 6.00721 16.018 8.90076 13.3255 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 8.58887 6.36095 6.00721 14.4465 6.62002 9.71156 numMergedOcc 0
25 mol 243 unq 0 iso 0 dist 8.08534 6.01814 8.93338 4.35114 6.66959 4.78857 numMergedOcc 0
26 mol 250 unq 0 iso 0 dist 9.7235 7.10297 8.86638 4.4151 5.97993 6.40578 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 7.22993 7.44377 9.69863 6.58462 7.82157 4.45514 numMergedOcc 0
28 mol 280 unq 1 iso 0 dist 7.22993 7.44377 9.69863 4.4018 9.18069 6.77492 numMergedOcc 0
