0 mol 14 unq 0 iso 0 dist 9.31271 5.8321 7.73217 10.3326 9.04767 4.75873 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 9.31271 10.2904 5.99703 10.3326 9.04767 6.03847 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 5.2422 11.7002 7.78892 5.74753 9.24927 13.4993 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 9.70415 16.1844 8.44473 5.46309 6.65721 11.2947 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 9.70415 16.1844 8.44473 11.9897 6.72123 4.78811 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 5.57265 5.42987 5.68286 5.58109 7.9245 5.73349 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 7.05258 4.37747 5.68286 5.3454 7.9245 5.73349 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 5.70279 7.2371 9.22737 5.92158 7.47343 12.9061 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 5.70279 7.2371 9.22737 5.85449 6.65086 6.60925 numMergedOcc 0
9 mol 100 unq 2 iso 0 dist 5.70279 7.2371 9.22737 7.68675 6.56369 4.95357 numMergedOcc 0
10 mol 100 unq 3 iso 0 dist 5.70279 7.2371 9.22737 9.53223 9.30209 5.05858 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 8.84523 8.49138 9.41191 14.7654 8.69985 12.7291 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 7.27598 10.3591 6.48328 6.50005 6.37586 10.0911 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 7.27598 10.3591 6.48328 12.0971 9.71307 9.66197 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 5.57904 5.86552 8.86784 7.41837 6.54501 5.15251 numMergedOcc 0
15 mol 134 unq 3 iso 0 dist 5.57904 5.86552 8.86784 6.50005 6.49416 6.65283 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 6.15806 9.38106 7.51951 10.6362 7.26832 5.04299 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 8.71409 13.7809 6.13878 12.9212 6.18308 5.4508 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 6.21273 11.173 5.39218 5.1021 9.23153 13.3213 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 6.21273 11.173 5.39218 6.29601 8.24498 11.4842 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 9.60159 7.50456 8.27093 7.51316 7.22101 10.9396 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 9.60159 7.50456 8.27093 6.38287 7.09863 10.9533 numMergedOcc 0
22 mol 227 unq 2 iso 0 dist 7.71761 5.76444 9.78611 5.841 7.55216 9.775 numMergedOcc 0
23 mol 229 unq 0 iso 0 dist 5.00457 5.30728 8.83023 5.65373 7.03423 9.15968 numMergedOcc 0
24 mol 229 unq 1 iso 0 dist 5.00457 5.30728 8.83023 6.23084 9.06952 10.6678 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 7.26981 5.89504 8.82388 9.23512 7.32223 5.32928 numMergedOcc 0
26 mol 253 unq 1 iso 0 dist 7.26981 5.89504 8.82388 10.8952 8.31064 9.65021 numMergedOcc 0
27 mol 253 unq 2 iso 0 dist 9.02643 11.4971 8.82388 12.3948 7.32223 5.32928 numMergedOcc 0
28 mol 253 unq 3 iso 0 dist 9.02643 11.4971 8.82388 8.25257 8.31064 9.65021 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 8.44862 10.2996 8.23381 10.4505 6.97229 7.48984 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 8.9706 4.23712 9.04358 5.70285 6.60405 8.81588 numMergedOcc 0
31 mol 258 unq 2 iso 0 dist 8.9706 4.23712 9.04358 6.50871 6.42289 5.90131 numMergedOcc 0
32 mol 261 unq 0 iso 0 dist 8.17205 5.35625 5.00128 10.3933 8.02547 9.40373 numMergedOcc 0
33 mol 261 unq 1 iso 0 dist 8.17205 5.35625 5.00128 9.27298 8.43057 5.09097 numMergedOcc 0
34 mol 261 unq 2 iso 0 dist 8.17205 5.35625 5.00128 7.8624 6.05727 4.86901 numMergedOcc 0
35 mol 261 unq 3 iso 0 dist 8.17205 4.95036 6.58604 10.3933 8.02547 10.3517 numMergedOcc 0
36 mol 261 unq 4 iso 0 dist 8.17205 4.95036 6.58604 9.27298 8.43057 11.9784 numMergedOcc 0
37 mol 261 unq 5 iso 0 dist 8.17205 4.95036 6.58604 7.8624 6.05727 9.47323 numMergedOcc 0
38 mol 261 unq 6 iso 0 dist 8.17205 6.27949 7.30472 10.3933 8.02547 6.43209 numMergedOcc 0
39 mol 261 unq 7 iso 0 dist 8.17205 6.27949 7.30472 9.27298 8.43057 11.6843 numMergedOcc 0
40 mol 261 unq 8 iso 0 dist 8.17205 6.27949 7.30472 7.8624 6.05727 7.78464 numMergedOcc 0
