0 mol 26 unq 0 iso 0 dist 7.7868 4.03003 7.3022 11.3806 10.1809 9.27369 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 8.91418 6.78868 6.73801 9.59131 5.14132 5.31016 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 6.0961 12.0084 6.73801 10.2426 5.14132 5.31016 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 7.23914 3.63144 5.84875 10.2543 4.62903 8.85981 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.17564 5.87788 9.43355 5.81747 4.07863 7.69638 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 7.19213 5.46359 9.43355 6.81975 4.07863 7.69638 numMergedOcc 0
6 mol 59 unq 2 iso 0 dist 6.94351 16.3671 9.43355 10.0694 4.07863 7.69638 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 8.84323 7.46975 6.04903 15.5808 12.1095 8.2746 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 7.57958 12.656 5.39745 14.9666 10.4617 9.18898 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 7.90328 12.9454 7.09065 14.2839 7.62048 9.16592 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 7.50886 5.21101 9.83981 8.53731 8.32999 8.27794 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 7.25217 5.21101 6.13559 8.53731 5.28095 8.27794 numMergedOcc 0
12 mol 114 unq 2 iso 0 dist 6.96057 3.88006 6.51395 12.1234 11.5542 8.27794 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.95838 12.2067 7.26955 11.3476 6.02826 8.4733 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 9.47892 4.09788 7.26955 11.8884 6.02826 8.4733 numMergedOcc 0
15 mol 146 unq 0 iso 0 dist 9.77771 11.2713 9.44952 14.6165 10.9218 7.13378 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 9.56248 7.6477 8.41245 10.4088 10.5012 9.38737 numMergedOcc 0
17 mol 173 unq 1 iso 0 dist 9.56248 5.04427 6.64779 10.0903 12.905 9.51638 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.70025 6.02828 8.9289 15.0055 12.5567 9.07527 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 7.79085 9.77057 7.10413 13.7548 6.17401 9.41148 numMergedOcc 0
20 mol 232 unq 1 iso 0 dist 6.48753 9.30551 7.10413 12.5589 6.17401 9.41148 numMergedOcc 0
21 mol 232 unq 2 iso 0 dist 7.83802 10.6834 7.10413 12.4712 6.17401 9.41148 numMergedOcc 0
22 mol 243 unq 0 iso 0 dist 7.77265 3.87679 7.12785 12.2591 10.4928 8.55613 numMergedOcc 0
23 mol 243 unq 1 iso 0 dist 9.65322 3.87679 6.66959 12.2591 4.20431 8.55613 numMergedOcc 0
24 mol 243 unq 2 iso 0 dist 6.9453 5.40441 6.66959 5.86679 4.20431 8.55613 numMergedOcc 0
25 mol 273 unq 0 iso 0 dist 9.79283 13.9497 8.85779 21.2136 13.7838 9.78826 numMergedOcc 0
26 mol 278 unq 0 iso 0 dist 8.56029 8.73566 7.48235 10.3898 10.3447 9.21145 numMergedOcc 0
