0 mol 11 unq 0 iso 0 dist 5.59847 5.51815 6.54358 6.20956 6.74026 6.89666 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 8.15039 7.70367 9.03564 11.9795 7.2452 7.20538 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 7.21134 9.59206 5.99857 11.0493 4.69809 5.47319 numMergedOcc 0
3 mol 69 unq 1 iso 0 dist 7.21134 10.6174 6.9362 11.0493 4.69809 9.8809 numMergedOcc 0
4 mol 69 unq 2 iso 0 dist 7.40698 5.36659 5.99857 9.34288 4.69809 5.47319 numMergedOcc 0
5 mol 69 unq 3 iso 0 dist 7.40698 5.6966 6.9362 9.34288 4.69809 9.8809 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 9.28726 10.5571 8.13108 7.98824 6.69911 9.71952 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 9.28726 10.5571 8.13108 9.42329 3.94216 7.28257 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 5.32773 12.9469 8.80934 12.264 7.09333 8.89481 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 9.90992 12.718 7.69765 13.4247 5.33827 5.02717 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 9.00537 11.4985 8.90571 10.561 3.6848 8.96988 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 8.9388 8.63909 8.90571 6.22466 3.6848 8.96988 numMergedOcc 0
12 mol 195 unq 0 iso 0 dist 8.08491 4.98231 7.41662 8.51112 3.58901 7.63036 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 6.32553 9.40714 6.52816 10.1878 6.96644 5.96555 numMergedOcc 0
14 mol 207 unq 0 iso 0 dist 7.25953 5.6688 5.12567 13.6432 9.63192 9.18896 numMergedOcc 0
15 mol 207 unq 1 iso 0 dist 9.05688 5.6688 6.0563 13.6432 5.10056 9.18896 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 7.71199 4.8419 8.2123 4.17978 4.94998 7.16386 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 8.63804 4.81906 5.56538 10.8365 4.91709 7.85877 numMergedOcc 0
18 mol 222 unq 1 iso 0 dist 8.61619 4.81906 7.48954 10.8365 5.96186 7.85877 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 9.90415 6.52416 7.27993 12.18 3.72432 8.6537 numMergedOcc 0
20 mol 229 unq 1 iso 0 dist 9.90415 9.71486 9.51168 12.18 3.72432 8.75374 numMergedOcc 0
21 mol 229 unq 2 iso 0 dist 9.90415 12.9522 6.95201 12.18 3.72432 5.57702 numMergedOcc 0
22 mol 229 unq 3 iso 0 dist 5.96615 6.81165 7.27993 4.38586 3.72432 8.6537 numMergedOcc 0
23 mol 229 unq 4 iso 0 dist 5.96615 5.33253 9.51168 4.38586 3.72432 8.75374 numMergedOcc 0
24 mol 229 unq 5 iso 0 dist 5.96615 6.21905 6.95201 4.38586 3.72432 5.57702 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 9.73257 14.9272 7.81215 12.9322 9.8663 7.86368 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 9.61255 7.62102 9.30212 14.961 18.3627 9.65265 numMergedOcc 0
27 mol 274 unq 1 iso 0 dist 7.64703 7.62102 6.4611 14.961 11.4981 9.65265 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 7.88009 13.3794 9.57499 23.0427 17.8399 9.77689 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 7.88009 13.3794 9.57499 13.3804 6.17642 8.51931 numMergedOcc 0
30 mol 277 unq 2 iso 0 dist 7.88009 5.90394 5.46926 13.3804 6.17642 8.96343 numMergedOcc 0
31 mol 277 unq 3 iso 0 dist 7.88009 9.57081 8.9682 15.8242 12.2421 9.29635 numMergedOcc 0
32 mol 277 unq 4 iso 0 dist 5.80061 5.90394 5.13913 13.3804 8.24206 8.96343 numMergedOcc 0
33 mol 277 unq 5 iso 0 dist 5.80061 9.57081 6.92711 15.8242 10.9521 9.29635 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 7.48212 5.0721 7.20674 12.7886 8.88312 9.20416 numMergedOcc 0
35 mol 292 unq 1 iso 0 dist 7.48212 5.0721 7.20674 7.60019 10.0594 7.53641 numMergedOcc 0
