0 mol 21 unq 0 iso 0 dist 7.5136 8.09082 5.3862 6.5268 5.93898 9.84542 7.9574 6.28263 5.63735 10.6971 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.48944 9.04448 11.9756 14.0586 7.27472 17.003 12.5434 4.44526 16.1924 6.38336 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.48944 9.04448 11.9756 14.0586 7.27472 17.003 11.8259 9.586 15.3807 6.7828 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.48944 6.6834 13.4516 14.0586 7.27472 16.707 12.5434 4.44526 17.4861 6.38336 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.48944 6.6834 13.4516 14.0586 7.27472 16.707 11.8259 9.586 11.7489 6.7828 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 9.04448 8.48944 11.9756 9.67461 5.68215 9.33482 15.0242 7.26334 15.6834 6.56748 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 9.04448 8.48944 11.9756 9.67461 5.68215 9.33482 11.9306 6.19899 13.64 4.50066 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 9.04448 8.48944 11.9756 9.67461 5.68215 9.33482 6.2838 6.61696 9.84204 5.11617 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 9.04448 6.6834 10.7501 9.67461 5.68215 10.9113 15.0242 7.26334 14.7426 6.56748 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 9.04448 6.6834 10.7501 9.67461 5.68215 10.9113 11.9306 6.19899 10.8068 4.50066 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 9.04448 6.6834 10.7501 9.67461 5.68215 10.9113 6.2838 6.61696 5.80953 5.11617 numMergedOcc 0
11 mol 24 unq 10 iso 0 dist 6.6834 8.48944 13.4516 13.4994 7.95042 17.9275 6.2838 5.80953 9.84204 8.52463 numMergedOcc 0
12 mol 24 unq 11 iso 0 dist 6.6834 9.04448 10.7501 13.4994 7.95042 12.5088 6.2838 5.80953 6.61696 8.52463 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 5.91797 6.37954 6.70343 15.3018 9.64383 14.0897 5.081 8.46823 4.62494 16.4267 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 5.91797 6.37954 6.70343 15.3018 9.64383 14.0897 6.3915 9.25444 9.84703 18.5442 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 5.91797 6.37954 6.70343 9.41666 7.54889 5.2571 5.081 8.46823 4.62494 9.67482 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 5.91797 6.37954 6.70343 9.41666 7.54889 5.2571 6.3915 9.25444 9.84703 9.85543 numMergedOcc 0
17 mol 98 unq 4 iso 0 dist 5.91797 6.37954 6.70343 9.57791 7.78931 8.7497 5.081 8.46823 4.62494 12.0974 numMergedOcc 0
18 mol 98 unq 5 iso 0 dist 5.91797 6.37954 6.70343 9.57791 7.78931 8.7497 6.3915 9.25444 9.84703 7.28361 numMergedOcc 0
19 mol 98 unq 6 iso 0 dist 6.37954 5.91797 6.70343 5.90686 5.10496 9.81956 6.3915 9.84703 9.25444 7.94178 numMergedOcc 0
20 mol 98 unq 7 iso 0 dist 6.37954 5.91797 6.70343 5.90686 5.10496 9.81956 5.081 4.62494 8.46823 4.4057 numMergedOcc 0
21 mol 98 unq 8 iso 0 dist 6.37954 5.91797 6.70343 11.2946 5.92242 10.8223 6.3915 9.84703 9.25444 15.7178 numMergedOcc 0
22 mol 98 unq 9 iso 0 dist 6.37954 5.91797 6.70343 11.2946 5.92242 10.8223 5.081 4.62494 8.46823 7.42446 numMergedOcc 0
23 mol 98 unq 10 iso 0 dist 6.37954 5.91797 6.70343 9.41666 5.2571 7.54889 6.3915 9.84703 9.25444 9.85543 numMergedOcc 0
24 mol 98 unq 11 iso 0 dist 6.37954 5.91797 6.70343 9.41666 5.2571 7.54889 5.081 4.62494 8.46823 9.67482 numMergedOcc 0
25 mol 98 unq 12 iso 0 dist 6.37954 5.91797 6.70343 9.57791 8.7497 7.78931 6.3915 9.84703 9.25444 7.28361 numMergedOcc 0
26 mol 98 unq 13 iso 0 dist 6.37954 5.91797 6.70343 9.57791 8.7497 7.78931 5.081 4.62494 8.46823 12.0974 numMergedOcc 0
27 mol 184 unq 0 iso 0 dist 8.09403 8.33147 5.33725 4.59843 5.96423 8.97589 11.5379 7.58375 10.6375 8.08596 numMergedOcc 0
28 mol 188 unq 0 iso 0 dist 8.01604 9.07006 3.68927 10.0103 7.88013 9.90062 5.58576 8.66624 11.5018 8.77113 numMergedOcc 0
29 mol 188 unq 1 iso 0 dist 7.03264 6.32826 3.68927 7.94258 7.88013 9.90062 9.66868 8.66624 11.5018 8.77113 numMergedOcc 0
30 mol 222 unq 0 iso 0 dist 8.63804 8.61619 3.58181 4.81906 5.56538 7.48954 8.51744 8.43195 8.23406 7.75656 numMergedOcc 0
31 mol 222 unq 1 iso 0 dist 8.61619 8.63804 3.58181 4.81906 7.48954 5.56538 8.51744 8.23406 8.43195 7.75656 numMergedOcc 0
32 mol 229 unq 0 iso 0 dist 9.90415 6.92268 9.01727 6.52416 7.27993 10.3243 6.7597 9.37336 11.7964 6.65022 numMergedOcc 0
33 mol 229 unq 1 iso 0 dist 9.90415 6.92268 9.01727 9.71486 9.51168 14.4522 6.7597 9.37336 11.7964 5.42069 numMergedOcc 0
34 mol 229 unq 2 iso 0 dist 9.90415 6.92268 9.01727 12.9522 6.95201 14.8281 6.7597 9.37336 11.7964 10.2411 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 9.61255 7.64703 13.5848 7.62102 9.30212 6.4611 4.69368 7.77765 9.65868 9.5468 numMergedOcc 0
36 mol 274 unq 1 iso 0 dist 7.64703 9.61255 13.5848 7.62102 6.4611 9.30212 4.69368 9.65868 7.77765 9.5468 numMergedOcc 0
37 mol 274 unq 2 iso 0 dist 7.64703 9.61255 13.5848 7.62102 6.4611 9.30212 11.5711 8.60027 10.0206 6.70925 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 7.88009 5.80061 3.39114 13.3794 9.57499 11.4389 9.39798 9.26157 9.11117 6.28695 numMergedOcc 0
39 mol 277 unq 1 iso 0 dist 7.88009 5.80061 3.39114 5.90394 5.46926 5.13913 9.39798 9.26157 9.11117 4.37645 numMergedOcc 0
40 mol 277 unq 2 iso 0 dist 7.88009 5.80061 3.39114 9.57081 8.9682 6.92711 9.39798 9.26157 9.11117 7.70529 numMergedOcc 0
41 mol 279 unq 0 iso 0 dist 9.88198 9.88022 19.0111 10.7368 6.35028 18.98 14.8531 7.17958 24.2005 12.6502 numMergedOcc 0
42 mol 279 unq 1 iso 0 dist 9.88198 7.26637 13.095 10.7368 6.35028 16.5279 14.8531 7.17958 14.8522 12.6502 numMergedOcc 0
