0 mol 34 unq 0 iso 0 dist 6.70369 8.6127 11.144 9.25005 8.52974 4.74094 numMergedOcc 0
1 mol 34 unq 0 iso 1 dist 6.70369 9.25005 8.52974 8.6127 11.144 4.74094 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.49278 8.6127 9.15844 9.25005 5.27925 4.74094 numMergedOcc 0
3 mol 34 unq 1 iso 1 dist 8.49278 9.25005 5.27925 8.6127 9.15844 4.74094 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 7.6104 6.72584 4.48523 7.25594 9.79852 5.72008 numMergedOcc 0
5 mol 83 unq 0 iso 1 dist 7.6104 7.25594 9.79852 6.72584 4.48523 5.72008 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.75977 6.51132 4.56304 8.38986 5.04832 3.13731 numMergedOcc 0
7 mol 92 unq 0 iso 1 dist 7.75977 8.38986 5.04832 6.51132 4.56304 3.13731 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 7.75233 4.80508 3.86041 4.88625 5.05049 3.19759 numMergedOcc 0
9 mol 158 unq 0 iso 1 dist 7.75233 4.88625 5.05049 4.80508 3.86041 3.19759 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 9.01437 6.24232 3.60864 6.13116 7.08284 5.29906 numMergedOcc 0
11 mol 168 unq 0 iso 1 dist 9.01437 6.13116 7.08284 6.24232 3.60864 5.29906 numMergedOcc 0
12 mol 168 unq 1 iso 0 dist 9.6856 8.1953 3.60864 8.16253 7.08284 5.29906 numMergedOcc 0
13 mol 168 unq 1 iso 1 dist 9.6856 8.16253 7.08284 8.1953 3.60864 5.29906 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 7.73442 9.35481 10.3105 9.11936 15.3838 10.9743 numMergedOcc 0
15 mol 184 unq 0 iso 1 dist 7.73442 9.11936 15.3838 9.35481 10.3105 10.9743 numMergedOcc 0
16 mol 184 unq 1 iso 0 dist 7.73442 9.35481 10.3105 8.20517 13.085 14.6266 numMergedOcc 0
17 mol 184 unq 1 iso 1 dist 7.73442 8.20517 13.085 9.35481 10.3105 14.6266 numMergedOcc 0
18 mol 184 unq 1 iso 0 dist 7.73442 9.11936 15.3838 8.20517 13.085 8.05894 numMergedOcc 0
19 mol 184 unq 1 iso 1 dist 7.73442 8.20517 13.085 9.11936 15.3838 8.05894 numMergedOcc 0
20 mol 254 unq 0 iso 0 dist 9.61808 8.4346 8.42716 7.97728 7.70437 2.67738 numMergedOcc 0
21 mol 254 unq 0 iso 1 dist 9.61808 7.97728 7.70437 8.4346 8.42716 2.67738 numMergedOcc 0
22 mol 257 unq 0 iso 0 dist 8.36731 6.19418 3.67174 9.81401 4.76602 5.38367 numMergedOcc 0
23 mol 257 unq 0 iso 1 dist 8.36731 9.81401 4.76602 6.19418 3.67174 5.38367 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 7.7368 6.23874 9.21351 6.68956 4.96187 4.68872 numMergedOcc 0
25 mol 287 unq 0 iso 1 dist 7.7368 6.68956 4.96187 6.23874 9.21351 4.68872 numMergedOcc 0
26 mol 287 unq 1 iso 0 dist 9.71269 6.17759 8.0165 8.20391 11.671 4.64789 numMergedOcc 0
27 mol 287 unq 1 iso 1 dist 9.71269 8.20391 11.671 6.17759 8.0165 4.64789 numMergedOcc 0
28 mol 287 unq 2 iso 0 dist 9.40407 6.17759 4.80377 8.20391 3.91371 4.64789 numMergedOcc 0
29 mol 287 unq 2 iso 1 dist 9.40407 8.20391 3.91371 6.17759 4.80377 4.64789 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 7.7368 6.23874 9.21351 6.68956 4.96187 4.68872 numMergedOcc 0
31 mol 288 unq 0 iso 1 dist 7.7368 6.68956 4.96187 6.23874 9.21351 4.68872 numMergedOcc 0
32 mol 288 unq 1 iso 0 dist 9.71269 6.17759 8.0165 8.20391 11.671 4.64789 numMergedOcc 0
33 mol 288 unq 1 iso 1 dist 9.71269 8.20391 11.671 6.17759 8.0165 4.64789 numMergedOcc 0
34 mol 288 unq 2 iso 0 dist 9.40407 6.17759 4.80377 8.20391 3.91371 4.64789 numMergedOcc 0
35 mol 288 unq 2 iso 1 dist 9.40407 8.20391 3.91371 6.17759 4.80377 4.64789 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 7.7368 6.23874 9.21351 6.68956 4.96187 4.68872 numMergedOcc 0
37 mol 289 unq 0 iso 1 dist 7.7368 6.68956 4.96187 6.23874 9.21351 4.68872 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 9.71269 6.17759 8.0165 8.20391 11.671 4.64789 numMergedOcc 0
39 mol 289 unq 1 iso 1 dist 9.71269 8.20391 11.671 6.17759 8.0165 4.64789 numMergedOcc 0
40 mol 289 unq 2 iso 0 dist 9.40407 6.17759 4.80377 8.20391 3.91371 4.64789 numMergedOcc 0
41 mol 289 unq 2 iso 1 dist 9.40407 8.20391 3.91371 6.17759 4.80377 4.64789 numMergedOcc 0
