0 mol 13 unq 0 iso 0 dist 6.11444 6.70295 8.47514 9.41423 6.34527 6.26071 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 6.11444 5.61058 7.39086 9.41423 6.34527 8.43325 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.16954 10.0039 6.50337 15.6934 13.3939 6.92532 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 6.64845 7.71372 5.9844 7.26522 5.73522 8.00177 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.90701 5.39546 9.89546 11.9259 9.01849 9.93832 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 7.32236 13.1056 9.07906 16.8389 13.8877 8.60739 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.8821 13.5661 5.62694 18.8653 9.1484 8.85586 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 9.8821 13.5661 5.62694 14.2668 5.73042 7.11 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 8.80003 11.1406 5.62694 17.8245 9.1484 8.85586 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 8.80003 11.1406 5.62694 12.803 5.73042 7.11 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.17101 13.793 8.86966 17.4405 13.6807 8.28642 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.11956 9.29114 6.02579 14.5102 8.62127 6.72641 numMergedOcc 0
12 mol 210 unq 0 iso 0 dist 6.93215 5.92474 5.62219 5.6524 5.64437 7.63018 numMergedOcc 0
13 mol 240 unq 0 iso 0 dist 6.91279 5.36005 5.31041 8.67485 10.9678 9.47583 numMergedOcc 0
14 mol 258 unq 0 iso 0 dist 4.70178 7.48984 6.78929 15.4657 13.9021 8.15467 numMergedOcc 0
15 mol 261 unq 0 iso 0 dist 5.46946 7.89933 9.00426 11.0057 9.46424 5.26434 numMergedOcc 0
16 mol 261 unq 1 iso 0 dist 8.24264 7.89933 8.19348 11.0057 7.48263 5.26434 numMergedOcc 0
17 mol 261 unq 2 iso 0 dist 9.66703 6.79406 8.19348 10.2554 7.48263 5.26434 numMergedOcc 0
18 mol 282 unq 0 iso 0 dist 5.62135 7.72959 8.76788 11.0659 9.47915 5.23193 numMergedOcc 0
19 mol 282 unq 1 iso 0 dist 8.68131 7.72959 8.39723 11.0659 7.5377 5.23193 numMergedOcc 0
20 mol 282 unq 2 iso 0 dist 9.82919 6.62554 8.39723 10.3646 7.5377 5.23193 numMergedOcc 0
