0 mol 21 unq 0 iso 0 dist 8.09082 7.5136 5.3862 7.9574 5.63735 6.28263 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 7.5136 8.09082 5.3862 7.9574 6.28263 5.63735 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.48944 9.04448 11.9756 12.5434 4.44526 16.1924 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.48944 9.04448 11.9756 11.8259 9.586 15.3807 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.48944 6.6834 13.4516 12.5434 4.44526 17.4861 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.48944 6.6834 13.4516 11.8259 9.586 11.7489 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 9.04448 8.48944 11.9756 15.0242 7.26334 15.6834 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 9.04448 8.48944 11.9756 11.9306 6.19899 13.64 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 9.04448 8.48944 11.9756 6.2838 6.61696 9.84204 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 9.04448 6.6834 10.7501 15.0242 7.26334 14.7426 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 9.04448 6.6834 10.7501 11.9306 6.19899 10.8068 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 9.04448 6.6834 10.7501 6.2838 6.61696 5.80953 numMergedOcc 0
12 mol 24 unq 10 iso 0 dist 6.6834 8.48944 13.4516 6.2838 5.80953 9.84204 numMergedOcc 0
13 mol 24 unq 11 iso 0 dist 6.6834 9.04448 10.7501 6.2838 5.80953 6.61696 numMergedOcc 0
14 mol 30 unq 0 iso 0 dist 8.3224 8.71602 7.62116 10.8609 5.22979 11.7002 numMergedOcc 0
15 mol 30 unq 1 iso 0 dist 8.3224 7.54379 8.79591 10.8609 5.22979 13.6662 numMergedOcc 0
16 mol 34 unq 0 iso 0 dist 5.39587 6.47252 11.6209 7.58383 6.88052 12.1552 numMergedOcc 0
17 mol 93 unq 0 iso 0 dist 7.49235 7.19431 5.21654 12.8733 9.19977 14.2126 numMergedOcc 0
18 mol 93 unq 1 iso 0 dist 7.49235 7.19431 5.21654 11.3276 7.28831 11.6193 numMergedOcc 0
19 mol 93 unq 2 iso 0 dist 7.49235 7.19431 5.21654 7.81661 9.71411 12.2183 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 5.91797 6.37954 6.70343 6.3915 9.25444 9.84703 numMergedOcc 0
21 mol 98 unq 1 iso 0 dist 5.91797 6.37954 6.70343 5.081 8.46823 4.62494 numMergedOcc 0
22 mol 98 unq 2 iso 0 dist 6.37954 5.91797 6.70343 6.3915 9.84703 9.25444 numMergedOcc 0
23 mol 98 unq 3 iso 0 dist 6.37954 5.91797 6.70343 5.081 4.62494 8.46823 numMergedOcc 0
24 mol 184 unq 0 iso 0 dist 8.09403 8.33147 5.33725 11.5379 7.58375 10.6375 numMergedOcc 0
25 mol 188 unq 0 iso 0 dist 8.01604 9.07006 3.68927 5.58576 8.66624 11.5018 numMergedOcc 0
26 mol 188 unq 1 iso 0 dist 7.03264 6.32826 3.68927 9.66868 8.66624 11.5018 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 8.63804 8.61619 3.58181 8.51744 8.43195 8.23406 numMergedOcc 0
28 mol 222 unq 1 iso 0 dist 8.61619 8.63804 3.58181 8.51744 8.23406 8.43195 numMergedOcc 0
29 mol 229 unq 0 iso 0 dist 9.90415 6.92268 9.01727 6.7597 9.37336 11.7964 numMergedOcc 0
30 mol 260 unq 0 iso 0 dist 6.19564 6.79386 3.64495 8.565 9.31888 12.4661 numMergedOcc 0
31 mol 274 unq 0 iso 0 dist 9.61255 7.64703 13.5848 4.69368 7.77765 9.65868 numMergedOcc 0
32 mol 274 unq 1 iso 0 dist 7.64703 9.61255 13.5848 4.69368 9.65868 7.77765 numMergedOcc 0
33 mol 274 unq 2 iso 0 dist 7.64703 9.61255 13.5848 11.5711 8.60027 10.0206 numMergedOcc 0
34 mol 277 unq 0 iso 0 dist 7.88009 5.80061 3.39114 9.39798 9.26157 9.11117 numMergedOcc 0
35 mol 279 unq 0 iso 0 dist 9.88198 9.88022 19.0111 14.8531 7.17958 24.2005 numMergedOcc 0
36 mol 279 unq 1 iso 0 dist 9.88198 7.26637 13.095 14.8531 7.17958 14.8522 numMergedOcc 0
