0 mol 11 unq 0 iso 0 dist 5.59847 5.51815 6.54358 10.4181 6.859 6.86684 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 7.5136 6.5268 5.93898 7.9574 6.28263 10.6971 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.48944 14.0586 7.27472 12.5434 4.44526 6.38336 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.48944 14.0586 7.27472 11.8259 9.586 6.7828 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.04448 9.67461 5.68215 15.0242 7.26334 6.56748 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 9.04448 9.67461 5.68215 11.9306 6.19899 4.50066 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 9.04448 9.67461 5.68215 6.2838 6.61696 5.11617 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 6.6834 13.4994 7.95042 6.2838 5.80953 8.52463 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 9.23015 10.7149 7.05196 6.84017 5.20109 7.33728 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.91797 15.3018 9.64383 6.3915 9.25444 18.5442 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.91797 15.3018 9.64383 5.081 8.46823 16.4267 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 5.91797 9.41666 7.54889 6.3915 9.25444 9.85543 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 5.91797 9.41666 7.54889 5.081 8.46823 9.67482 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 5.91797 9.57791 7.78931 6.3915 9.25444 7.28361 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 5.91797 9.57791 7.78931 5.081 8.46823 12.0974 numMergedOcc 0
15 mol 98 unq 6 iso 0 dist 6.37954 5.90686 5.10496 6.3915 9.84703 7.94178 numMergedOcc 0
16 mol 98 unq 7 iso 0 dist 6.37954 5.90686 5.10496 5.081 4.62494 4.4057 numMergedOcc 0
17 mol 98 unq 8 iso 0 dist 6.37954 11.2946 5.92242 6.3915 9.84703 15.7178 numMergedOcc 0
18 mol 98 unq 9 iso 0 dist 6.37954 11.2946 5.92242 5.081 4.62494 7.42446 numMergedOcc 0
19 mol 98 unq 10 iso 0 dist 6.37954 9.41666 5.2571 6.3915 9.84703 9.85543 numMergedOcc 0
20 mol 98 unq 11 iso 0 dist 6.37954 9.41666 5.2571 5.081 4.62494 9.67482 numMergedOcc 0
21 mol 98 unq 12 iso 0 dist 6.37954 9.57791 8.7497 6.3915 9.84703 7.28361 numMergedOcc 0
22 mol 98 unq 13 iso 0 dist 6.37954 9.57791 8.7497 5.081 4.62494 12.0974 numMergedOcc 0
23 mol 109 unq 0 iso 0 dist 6.62354 4.91393 9.89083 5.26309 7.56755 10.0688 numMergedOcc 0
24 mol 109 unq 1 iso 0 dist 6.62354 5.68669 8.52024 5.26309 7.56755 7.74599 numMergedOcc 0
25 mol 109 unq 2 iso 0 dist 8.00085 12.0697 9.89083 11.4333 7.56755 10.0688 numMergedOcc 0
26 mol 109 unq 3 iso 0 dist 8.00085 6.80429 8.52024 11.4333 7.56755 7.74599 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 9.11314 10.5234 5.37047 5.39614 5.06564 6.48978 numMergedOcc 0
28 mol 143 unq 1 iso 0 dist 9.11314 10.5234 5.37047 7.44842 7.5373 5.20762 numMergedOcc 0
29 mol 184 unq 0 iso 0 dist 8.09403 4.59843 5.96423 11.5379 7.58375 8.08596 numMergedOcc 0
30 mol 188 unq 0 iso 0 dist 8.01604 10.0103 7.88013 5.58576 8.66624 8.77113 numMergedOcc 0
31 mol 188 unq 1 iso 0 dist 7.03264 7.94258 7.88013 9.66868 8.66624 8.77113 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 8.63804 4.81906 5.56538 8.51744 8.43195 7.75656 numMergedOcc 0
33 mol 222 unq 1 iso 0 dist 8.61619 4.81906 7.48954 8.51744 8.23406 7.75656 numMergedOcc 0
34 mol 229 unq 0 iso 0 dist 9.90415 6.52416 7.27993 6.7597 9.37336 6.65022 numMergedOcc 0
35 mol 229 unq 1 iso 0 dist 9.90415 9.71486 9.51168 6.7597 9.37336 5.42069 numMergedOcc 0
36 mol 229 unq 2 iso 0 dist 9.90415 12.9522 6.95201 6.7597 9.37336 10.2411 numMergedOcc 0
37 mol 229 unq 3 iso 0 dist 5.96615 6.81165 7.27993 5.3298 9.37336 6.65022 numMergedOcc 0
38 mol 229 unq 4 iso 0 dist 5.96615 5.33253 9.51168 5.3298 9.37336 5.42069 numMergedOcc 0
39 mol 229 unq 5 iso 0 dist 5.96615 6.21905 6.95201 5.3298 9.37336 10.2411 numMergedOcc 0
40 mol 234 unq 0 iso 0 dist 9.73257 14.9272 7.81215 11.3445 7.77911 10.0059 numMergedOcc 0
41 mol 234 unq 1 iso 0 dist 9.73257 6.44395 5.64285 11.3445 7.77911 5.08515 numMergedOcc 0
42 mol 250 unq 0 iso 0 dist 8.51613 6.15778 6.59244 5.61043 9.30531 4.34713 numMergedOcc 0
43 mol 252 unq 0 iso 0 dist 7.95045 7.16035 7.15764 10.6643 8.09509 6.35641 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 9.61255 7.62102 9.30212 4.69368 7.77765 9.5468 numMergedOcc 0
45 mol 274 unq 1 iso 0 dist 7.64703 7.62102 6.4611 4.69368 9.65868 9.5468 numMergedOcc 0
46 mol 274 unq 2 iso 0 dist 7.64703 7.62102 6.4611 11.5711 8.60027 6.70925 numMergedOcc 0
47 mol 277 unq 0 iso 0 dist 7.88009 13.3794 9.57499 9.39798 9.26157 6.28695 numMergedOcc 0
48 mol 277 unq 1 iso 0 dist 7.88009 5.90394 5.46926 9.39798 9.26157 4.37645 numMergedOcc 0
49 mol 277 unq 2 iso 0 dist 7.88009 9.57081 8.9682 9.39798 9.26157 7.70529 numMergedOcc 0
50 mol 279 unq 0 iso 0 dist 9.88198 10.7368 6.35028 14.8531 7.17958 12.6502 numMergedOcc 0
51 mol 292 unq 0 iso 0 dist 7.48212 5.0721 7.20674 5.17069 8.62162 8.83082 numMergedOcc 0
