0 mol 26 unq 0 iso 0 dist 7.7868 5.19508 7.61055 4.03003 7.3022 5.30297 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 8.91418 4.15148 5.52067 6.78868 6.73801 6.32189 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 8.91418 4.15148 5.52067 7.10946 6.42834 4.85777 numMergedOcc 0
3 mol 41 unq 2 iso 0 dist 6.0961 7.51317 5.52067 12.0084 6.73801 6.32189 numMergedOcc 0
4 mol 41 unq 3 iso 0 dist 6.0961 7.51317 5.52067 4.08339 6.42834 4.85777 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 8.84323 5.0413 9.87677 7.46975 6.04903 7.97193 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 9.30724 13.8613 7.54496 11.109 9.56752 6.44963 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 7.57958 7.38289 9.28578 11.6798 7.1539 7.75408 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 7.57958 7.38289 9.28578 12.656 5.39745 12.1199 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 7.50886 7.3539 8.11094 5.21101 9.83981 11.4429 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.95838 7.58689 9.05798 12.2067 7.26955 7.34151 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 8.95838 5.47002 5.85818 12.2067 7.26955 11.7884 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 9.47892 9.21153 9.05798 4.09788 7.26955 7.34151 numMergedOcc 0
13 mol 119 unq 3 iso 0 dist 9.47892 13.8865 5.85818 4.09788 7.26955 11.7884 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 6.01132 9.38503 7.62145 7.94741 9.62236 5.82483 numMergedOcc 0
15 mol 130 unq 1 iso 0 dist 6.01132 9.38503 7.62145 11.7935 6.90634 6.85776 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 9.43335 5.91006 8.1582 14.3207 6.46089 11.5146 numMergedOcc 0
17 mol 143 unq 1 iso 0 dist 9.43335 10.9939 7.88655 14.3207 6.46089 6.60479 numMergedOcc 0
18 mol 143 unq 2 iso 0 dist 9.9492 14.2311 8.1582 6.3462 6.46089 11.5146 numMergedOcc 0
19 mol 143 unq 3 iso 0 dist 9.9492 9.32969 7.88655 6.3462 6.46089 6.60479 numMergedOcc 0
20 mol 146 unq 0 iso 0 dist 9.77771 13.2483 8.68349 6.27901 6.50043 7.20408 numMergedOcc 0
21 mol 146 unq 1 iso 0 dist 9.77771 13.2483 8.68349 11.2713 9.44952 6.00811 numMergedOcc 0
22 mol 159 unq 0 iso 0 dist 8.91189 6.23157 7.13269 6.69743 5.9032 7.97232 numMergedOcc 0
23 mol 173 unq 0 iso 0 dist 9.56248 13.638 7.54706 7.6477 8.41245 9.77146 numMergedOcc 0
24 mol 173 unq 1 iso 0 dist 9.56248 13.638 7.54706 5.04427 6.64779 9.43677 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 9.70025 8.93412 7.96291 6.02828 8.9289 6.12563 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 9.08641 7.41978 9.59034 5.18732 9.84492 6.71237 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 7.96197 9.92633 9.42618 5.99553 8.81629 6.84212 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 7.96197 9.92633 9.42618 5.18265 6.87131 4.77308 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 7.96197 9.92633 9.42618 4.30687 9.69818 10.2777 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.53092 6.20003 6.39918 11.7116 8.71497 6.31909 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 6.21206 5.34871 6.5422 5.29885 7.34094 6.67381 numMergedOcc 0
32 mol 273 unq 0 iso 0 dist 9.79283 5.62645 6.94131 13.9497 8.85779 9.76492 numMergedOcc 0
33 mol 273 unq 1 iso 0 dist 9.79283 8.08262 9.84628 13.9497 8.85779 13.6188 numMergedOcc 0
34 mol 277 unq 0 iso 0 dist 8.96092 9.93007 7.25677 4.60075 6.43034 5.43373 numMergedOcc 0
35 mol 277 unq 1 iso 0 dist 8.96092 11.01 6.73126 4.60075 6.43034 7.17477 numMergedOcc 0
36 mol 278 unq 0 iso 0 dist 8.56029 10.046 9.80746 8.73566 7.48235 14.8957 numMergedOcc 0
