0 mol 7 unq 0 iso 0 dist 9.26914 13.4261 5.72491 18.2699 9.67164 8.0744 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 9.06222 9.16217 7.92414 11.9427 6.56356 4.69349 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 9.06222 11.6546 6.82379 11.9427 6.56356 8.64248 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.83265 17.0376 8.85586 13.7606 5.5087 5.50891 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.83265 17.0376 8.85586 12.8912 6.08682 4.75954 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.83265 11.2939 7.11 13.7606 5.5087 7.50869 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.83265 11.2939 7.11 12.8912 6.08682 3.6807 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 7.96917 8.90574 8.67766 8.79725 9.77497 9.03468 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 7.70586 8.90574 8.0831 4.89867 9.89083 11.0597 numMergedOcc 0
9 mol 109 unq 2 iso 0 dist 5.8729 6.32773 5.34214 10.2645 7.07971 6.8409 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 9.23352 5.82866 6.78038 8.3383 9.02706 8.90959 numMergedOcc 0
11 mol 112 unq 1 iso 0 dist 9.23352 5.82866 6.78038 5.07427 9.39168 4.4941 numMergedOcc 0
12 mol 112 unq 2 iso 0 dist 5.43031 5.82866 6.47042 8.3383 8.47988 8.90959 numMergedOcc 0
13 mol 112 unq 3 iso 0 dist 5.43031 5.82866 6.47042 5.07427 8.0427 4.4941 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 9.20372 10.3994 8.86329 6.764 9.27976 5.30999 numMergedOcc 0
15 mol 142 unq 0 iso 0 dist 6.90378 11.2897 9.17106 9.67929 7.81207 9.38687 numMergedOcc 0
16 mol 142 unq 1 iso 0 dist 6.90378 11.2897 9.17106 6.32951 7.18002 11.093 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 5.39213 8.24961 7.24795 10.6602 8.73533 9.40383 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 9.07855 16.5695 8.55558 11.2726 5.85442 7.32929 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 9.07855 16.5695 8.55558 9.26271 6.95511 9.55426 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 9.25455 9.65835 5.31728 6.62906 7.80862 8.05127 numMergedOcc 0
