0 mol 18 unq 0 iso 0 dist 8.51213 5.03976 7.04695 5.34733 5.65084 5.04478 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.16494 5.77643 5.32981 4.71262 7.18022 7.79336 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.16494 5.77643 5.32981 4.28439 6.24711 7.08559 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 9.92438 8.42365 6.35371 3.73561 8.66539 9.68228 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.66055 8.42365 8.48255 3.73561 5.38524 9.68228 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 7.79726 7.93317 11.5972 3.89377 9.76379 11.3504 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 7.79726 7.11013 5.59971 3.89377 9.76379 6.52939 numMergedOcc 0
7 mol 79 unq 2 iso 0 dist 7.79726 9.62096 14.4245 3.89377 9.76379 12.8463 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 7.2461 9.58164 10.9266 4.10689 8.49678 10.7697 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.11612 9.36283 6.34759 3.85674 6.24825 10.2461 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.75736 6.77398 5.45435 14.0091 9.00918 14.1229 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 8.75736 6.77398 5.45435 15.5753 7.99477 13.4121 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 8.75736 5.68207 10.302 14.0091 9.00918 16.4283 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 8.75736 5.68207 10.302 15.5753 7.99477 17.2544 numMergedOcc 0
14 mol 134 unq 4 iso 0 dist 6.76166 6.33375 5.9915 9.88169 9.00918 5.73203 numMergedOcc 0
15 mol 134 unq 5 iso 0 dist 6.76166 6.33375 5.9915 11.8593 7.99477 6.57379 numMergedOcc 0
16 mol 134 unq 6 iso 0 dist 6.76166 8.06229 5.45435 9.88169 9.00918 14.1229 numMergedOcc 0
17 mol 134 unq 7 iso 0 dist 6.76166 8.06229 5.45435 11.8593 7.99477 13.4121 numMergedOcc 0
18 mol 146 unq 0 iso 0 dist 7.24965 6.66451 9.18212 3.75935 9.04757 5.41078 numMergedOcc 0
19 mol 178 unq 0 iso 0 dist 7.14849 8.71031 5.25267 3.95924 9.11204 11.7594 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 4.91961 6.553 5.56749 4.84686 7.81215 9.11572 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 4.91961 6.5097 7.50943 4.84686 7.81215 10.6011 numMergedOcc 0
22 mol 234 unq 2 iso 0 dist 7.14333 6.553 8.0608 4.84686 5.64285 9.11572 numMergedOcc 0
23 mol 234 unq 3 iso 0 dist 7.14333 6.5097 9.38219 4.84686 5.64285 10.6011 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 5.99187 6.59305 10.4664 13.6867 9.08509 14.4363 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 9.93378 6.59305 13.3539 13.7872 9.06592 12.841 numMergedOcc 0
26 mol 243 unq 0 iso 0 dist 4.89168 9.85284 7.12868 6.41173 7.10671 11.4329 numMergedOcc 0
27 mol 243 unq 1 iso 0 dist 4.89168 9.85284 7.12868 5.7044 8.67156 10.1045 numMergedOcc 0
28 mol 267 unq 0 iso 0 dist 6.19138 9.18446 6.45566 6.43871 7.34981 5.08174 numMergedOcc 0
29 mol 267 unq 1 iso 0 dist 6.54381 6.60591 6.45566 5.40798 7.34981 5.08174 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 7.11081 8.66938 12.1551 5.04876 9.46442 5.84792 numMergedOcc 0
31 mol 292 unq 1 iso 0 dist 7.11081 8.66938 12.1551 5.37135 7.30758 8.73515 numMergedOcc 0
32 mol 292 unq 2 iso 0 dist 7.11081 8.66938 12.1551 7.24839 9.5785 15.8988 numMergedOcc 0
33 mol 292 unq 3 iso 0 dist 7.11081 8.66938 12.1551 8.58496 9.76319 15.8206 numMergedOcc 0
