0 mol 9 unq 0 iso 0 dist 3.71928 6.1339 8.01055 6.48158 8.61976 4.35219 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 3.71928 6.48158 8.61976 6.1339 8.01055 4.35219 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 9.54285 6.67987 9.5937 9.81441 7.34681 11.0023 numMergedOcc 0
3 mol 17 unq 0 iso 1 dist 9.54285 9.81441 7.34681 6.67987 9.5937 11.0023 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.0009 6.74022 8.52643 5.42653 9.75299 4.78627 numMergedOcc 0
5 mol 64 unq 0 iso 1 dist 8.0009 5.42653 9.75299 6.74022 8.52643 4.78627 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 8.91298 6.74022 5.41357 5.42653 9.30042 4.78627 numMergedOcc 0
7 mol 64 unq 1 iso 1 dist 8.91298 5.42653 9.30042 6.74022 5.41357 4.78627 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 6.57749 9.09097 6.12267 7.29064 8.43162 9.42543 numMergedOcc 0
9 mol 67 unq 0 iso 1 dist 6.57749 7.29064 8.43162 9.09097 6.12267 9.42543 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 8.70106 5.40051 8.078 14.0531 6.56481 11.6637 numMergedOcc 0
11 mol 103 unq 0 iso 1 dist 8.70106 14.0531 6.56481 5.40051 8.078 11.6637 numMergedOcc 0
12 mol 104 unq 0 iso 0 dist 6.14066 5.30572 5.71279 5.886 6.18499 4.36714 numMergedOcc 0
13 mol 104 unq 0 iso 1 dist 6.14066 5.886 6.18499 5.30572 5.71279 4.36714 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 8.74019 5.14974 6.53824 6.40614 6.61973 4.48374 numMergedOcc 0
15 mol 116 unq 0 iso 1 dist 8.74019 6.40614 6.61973 5.14974 6.53824 4.48374 numMergedOcc 0
16 mol 174 unq 0 iso 0 dist 9.14165 9.23787 7.27146 4.98201 6.25798 8.45124 numMergedOcc 0
17 mol 174 unq 0 iso 1 dist 9.14165 4.98201 6.25798 9.23787 7.27146 8.45124 numMergedOcc 0
18 mol 187 unq 0 iso 0 dist 5.26804 6.31943 5.58167 8.33762 8.0501 11.6883 numMergedOcc 0
19 mol 187 unq 0 iso 1 dist 5.26804 8.33762 8.0501 6.31943 5.58167 11.6883 numMergedOcc 0
20 mol 189 unq 0 iso 0 dist 9.71306 7.19635 9.95686 8.18227 9.47321 10.4321 numMergedOcc 0
21 mol 189 unq 0 iso 1 dist 9.71306 8.18227 9.47321 7.19635 9.95686 10.4321 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 9.67207 4.64973 6.2016 6.57816 8.3453 6.63296 numMergedOcc 0
23 mol 192 unq 0 iso 1 dist 9.67207 6.57816 8.3453 4.64973 6.2016 6.63296 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 7.5696 9.55695 6.20044 7.67211 8.41232 6.2357 numMergedOcc 0
25 mol 204 unq 0 iso 1 dist 7.5696 7.67211 8.41232 9.55695 6.20044 6.2357 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 7.66083 6.48083 5.25149 6.54824 8.6368 11.0459 numMergedOcc 0
27 mol 220 unq 0 iso 1 dist 7.66083 6.54824 8.6368 6.48083 5.25149 11.0459 numMergedOcc 0
28 mol 245 unq 0 iso 0 dist 7.1207 9.95653 9.96585 5.00797 7.27022 5.15551 numMergedOcc 0
29 mol 245 unq 0 iso 1 dist 7.1207 5.00797 7.27022 9.95653 9.96585 5.15551 numMergedOcc 0
30 mol 245 unq 1 iso 0 dist 7.1207 9.95653 9.96585 7.10254 7.95061 14.3262 numMergedOcc 0
31 mol 245 unq 1 iso 1 dist 7.1207 7.10254 7.95061 9.95653 9.96585 14.3262 numMergedOcc 0
32 mol 245 unq 1 iso 0 dist 7.1207 5.00797 7.27022 7.10254 7.95061 9.67137 numMergedOcc 0
33 mol 245 unq 1 iso 1 dist 7.1207 7.10254 7.95061 5.00797 7.27022 9.67137 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 9.49732 14.4507 8.54422 10.4459 7.67473 4.85022 numMergedOcc 0
35 mol 259 unq 0 iso 1 dist 9.49732 10.4459 7.67473 14.4507 8.54422 4.85022 numMergedOcc 0
36 mol 282 unq 0 iso 0 dist 6.15396 5.668 5.00258 8.54733 9.98886 10.6828 numMergedOcc 0
37 mol 282 unq 0 iso 1 dist 6.15396 8.54733 9.98886 5.668 5.00258 10.6828 numMergedOcc 0
38 mol 282 unq 1 iso 0 dist 9.18964 5.668 8.22117 8.54733 6.81887 10.6828 numMergedOcc 0
39 mol 282 unq 1 iso 1 dist 9.18964 8.54733 6.81887 5.668 8.22117 10.6828 numMergedOcc 0
40 mol 285 unq 0 iso 0 dist 8.73607 8.87977 7.872 9.91326 6.32984 8.70014 numMergedOcc 0
41 mol 285 unq 0 iso 1 dist 8.73607 9.91326 6.32984 8.87977 7.872 8.70014 numMergedOcc 0
42 mol 287 unq 0 iso 0 dist 9.11602 7.31462 8.40726 6.64598 5.15923 7.06161 numMergedOcc 0
43 mol 287 unq 0 iso 1 dist 9.11602 6.64598 5.15923 7.31462 8.40726 7.06161 numMergedOcc 0
44 mol 288 unq 0 iso 0 dist 9.11602 7.31462 8.40726 6.64598 5.15923 7.06161 numMergedOcc 0
45 mol 288 unq 0 iso 1 dist 9.11602 6.64598 5.15923 7.31462 8.40726 7.06161 numMergedOcc 0
46 mol 289 unq 0 iso 0 dist 9.11602 7.31462 8.40726 6.64598 5.15923 7.06161 numMergedOcc 0
47 mol 289 unq 0 iso 1 dist 9.11602 6.64598 5.15923 7.31462 8.40726 7.06161 numMergedOcc 0
