0 mol 48 unq 0 iso 0 dist 8.9175 14.0679 7.77714 19.7376 13.11 6.01454 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 8.6545 5.91098 6.71884 8.77199 4.13365 9.30367 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 8.6545 5.91098 6.71884 11.399 12.3731 6.67079 numMergedOcc 0
3 mol 55 unq 2 iso 0 dist 8.14341 5.49578 7.8855 11.399 13.969 7.14636 numMergedOcc 0
4 mol 55 unq 3 iso 0 dist 8.14341 5.49578 7.8855 14.9651 13.1121 9.53303 numMergedOcc 0
5 mol 55 unq 4 iso 0 dist 7.58315 11.2733 7.8855 17.7583 13.969 7.14636 numMergedOcc 0
6 mol 55 unq 5 iso 0 dist 7.58315 11.2733 7.8855 14.3114 13.1121 9.53303 numMergedOcc 0
7 mol 55 unq 6 iso 0 dist 9.20445 12.2864 8.29508 16.5605 10.1034 7.14636 numMergedOcc 0
8 mol 55 unq 7 iso 0 dist 9.20445 12.2864 8.29508 14.6571 5.48883 9.53303 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 9.54529 10.2443 8.85511 16.9233 10.6994 9.22636 numMergedOcc 0
10 mol 69 unq 1 iso 0 dist 6.73908 8.36149 8.85511 13.0353 10.6994 9.22636 numMergedOcc 0
11 mol 132 unq 0 iso 0 dist 7.01436 5.64836 7.79845 10.8115 6.84485 8.15549 numMergedOcc 0
12 mol 160 unq 0 iso 0 dist 7.34242 7.32507 8.54789 8.83016 4.62125 8.87648 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 5.87921 9.77528 8.3311 16.6194 13.2828 7.30965 numMergedOcc 0
14 mol 192 unq 1 iso 0 dist 5.87921 4.87703 4.95155 11.1268 5.42318 8.34883 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 6.8631 12.4468 8.14413 18.0353 12.3207 6.24111 numMergedOcc 0
16 mol 210 unq 1 iso 0 dist 6.8631 12.4468 8.14413 18.8039 12.2935 9.00343 numMergedOcc 0
17 mol 210 unq 2 iso 0 dist 6.8631 12.4468 8.14413 14.8489 9.89233 6.41444 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 8.12807 5.01153 8.80245 5.95601 6.96924 8.36396 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 5.00508 12.1116 7.90449 10.0101 5.28237 5.38325 numMergedOcc 0
20 mol 239 unq 1 iso 0 dist 7.14047 5.16822 5.69868 7.04478 5.77901 6.00654 numMergedOcc 0
21 mol 249 unq 0 iso 0 dist 8.98696 7.6558 8.9281 8.21137 7.05054 6.18866 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 9.53869 5.07194 8.08789 13.625 7.41755 9.58767 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 7.38265 4.49451 7.42888 9.27225 5.83092 8.97411 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 7.68949 11.5883 7.42888 13.3962 5.83092 8.97411 numMergedOcc 0
25 mol 285 unq 0 iso 0 dist 9.44993 5.46192 7.72733 12.6971 9.6778 7.97209 numMergedOcc 0
26 mol 285 unq 1 iso 0 dist 9.44993 5.46192 7.72733 9.17212 6.85219 8.63954 numMergedOcc 0
27 mol 285 unq 2 iso 0 dist 9.44993 4.68053 7.2491 9.17212 6.85219 4.74716 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 7.59505 4.62662 4.28058 8.82139 4.76371 4.49185 numMergedOcc 0
29 mol 287 unq 1 iso 0 dist 7.59505 4.62662 4.28058 11.5813 4.71587 7.22938 numMergedOcc 0
30 mol 287 unq 2 iso 0 dist 7.59505 4.62662 4.28058 13.1462 6.95569 9.94176 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 7.59505 4.62662 4.28058 8.82139 4.76371 4.49185 numMergedOcc 0
32 mol 288 unq 1 iso 0 dist 7.59505 4.62662 4.28058 11.5813 4.71587 7.22938 numMergedOcc 0
33 mol 288 unq 2 iso 0 dist 7.59505 4.62662 4.28058 13.1462 6.95569 9.94176 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 7.59505 4.62662 4.28058 8.82139 4.76371 4.49185 numMergedOcc 0
35 mol 289 unq 1 iso 0 dist 7.59505 4.62662 4.28058 11.5813 4.71587 7.22938 numMergedOcc 0
36 mol 289 unq 2 iso 0 dist 7.59505 4.62662 4.28058 13.1462 6.95569 9.94176 numMergedOcc 0
37 mol 294 unq 0 iso 0 dist 9.03579 12.8567 5.47073 14.2958 5.29391 5.76337 numMergedOcc 0
38 mol 294 unq 1 iso 0 dist 9.03579 12.8567 5.47073 20.2666 12.3563 8.60441 numMergedOcc 0
