0 mol 1 unq 0 iso 0 dist 7.68779 5.96722 6.4181 11.47 6.25854 7.21349 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 7.15141 11.0298 7.14232 18.9042 12.7013 9.76851 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.16036 11.0716 9.96265 19.6113 16.532 9.25641 numMergedOcc 0
3 mol 51 unq 0 iso 0 dist 7.7625 9.10817 7.12423 16.1931 12.4834 9.66898 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 7.51978 8.88887 5.97635 16.1737 9.88291 9.5915 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 7.67586 5.74095 6.65344 6.17977 5.34079 4.67917 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 7.67586 5.74095 6.65344 9.95695 6.11334 6.88924 numMergedOcc 0
7 mol 59 unq 2 iso 0 dist 8.97292 6.00486 6.65344 9.76644 5.34079 4.67917 numMergedOcc 0
8 mol 59 unq 3 iso 0 dist 8.97292 6.00486 6.65344 10.0566 6.11334 6.88924 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 6.89185 4.67605 9.10981 8.63732 6.6573 9.28654 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 7.97217 5.93341 9.44916 8.63732 4.41538 8.92399 numMergedOcc 0
11 mol 78 unq 2 iso 0 dist 7.80757 10.928 9.23023 11.1617 7.17843 9.84346 numMergedOcc 0
12 mol 78 unq 3 iso 0 dist 7.80757 10.928 9.23023 7.50417 4.4651 9.46472 numMergedOcc 0
13 mol 78 unq 4 iso 0 dist 5.5849 10.1482 9.10981 11.6999 6.6573 9.28654 numMergedOcc 0
14 mol 78 unq 5 iso 0 dist 9.2835 7.59211 9.23023 8.29369 7.17843 9.84346 numMergedOcc 0
15 mol 78 unq 6 iso 0 dist 9.2835 7.59211 9.23023 9.93708 4.4651 9.46472 numMergedOcc 0
16 mol 78 unq 7 iso 0 dist 5.02591 5.13304 9.23023 6.75455 7.17843 9.84346 numMergedOcc 0
17 mol 78 unq 8 iso 0 dist 5.02591 5.13304 9.23023 6.28063 4.4651 9.46472 numMergedOcc 0
18 mol 78 unq 9 iso 0 dist 8.75605 14.1713 9.10981 13.9491 6.6573 9.28654 numMergedOcc 0
19 mol 112 unq 0 iso 0 dist 7.63658 6.50047 7.53905 10.8036 4.34071 7.84249 numMergedOcc 0
20 mol 112 unq 1 iso 0 dist 7.65229 6.50047 7.15985 10.8036 11.6091 7.84249 numMergedOcc 0
21 mol 123 unq 0 iso 0 dist 8.87148 4.81545 8.67193 8.64091 4.07494 6.4879 numMergedOcc 0
22 mol 123 unq 1 iso 0 dist 9.26057 9.59867 8.67193 11.1853 4.07494 6.4879 numMergedOcc 0
23 mol 155 unq 0 iso 0 dist 8.14907 4.65448 4.44292 10.8962 5.01007 6.91762 numMergedOcc 0
24 mol 187 unq 0 iso 0 dist 7.68247 6.54244 9.36086 12.8306 12.368 7.81168 numMergedOcc 0
25 mol 196 unq 0 iso 0 dist 6.60651 4.73252 6.25429 10.1209 4.57882 7.556 numMergedOcc 0
26 mol 210 unq 0 iso 0 dist 7.19917 11.8117 8.62103 20.1148 14.2438 9.718 numMergedOcc 0
27 mol 210 unq 1 iso 0 dist 7.19917 11.8117 8.62103 17.4059 11.4281 8.61629 numMergedOcc 0
28 mol 219 unq 0 iso 0 dist 9.91592 7.14751 4.87446 12.451 4.95329 7.13496 numMergedOcc 0
29 mol 249 unq 0 iso 0 dist 6.42827 7.26569 6.37672 12.1558 9.9244 6.40339 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 6.49599 11.5386 8.06771 16.214 10.4985 9.05363 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 9.47382 12.8939 9.54857 13.7729 5.41945 7.34794 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 5.81421 4.86861 7.04833 11.1394 6.50018 9.71346 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 5.69465 10.9754 7.53641 9.22345 8.04474 8.35169 numMergedOcc 0
34 mol 292 unq 1 iso 0 dist 5.69465 10.9754 7.53641 14.0169 9.00118 7.7557 numMergedOcc 0
