0 mol 29 unq 0 iso 0 dist 9.99467 5.97548 5.36278 4.31895 7.28761 4.10356 8.03211 9.78134 5.3571 6.0516 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 9.99467 9.88128 7.50258 4.31895 7.28761 10.3687 8.03211 9.78134 12.1835 6.0516 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 6.51139 10.8697 6.75602 9.88933 9.88728 7.22319 8.79418 6.35506 5.42185 9.70611 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.76585 6.95983 8.84944 6.90686 7.32236 10.9311 4.89928 6.57633 7.20713 4.03744 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 9.76585 11.3999 7.21995 6.90686 7.32236 6.43999 4.89928 6.57633 6.53557 4.03744 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.98208 12.456 4.34694 6.73631 8.80003 11.6826 15.1815 7.47162 4.93697 12.0556 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.79677 11.5575 6.54778 3.46142 9.68809 13.6126 13.0649 8.40389 5.33859 14.1047 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 8.79677 4.66388 8.57909 3.46142 9.68809 7.56584 13.0649 8.40389 10.2125 14.1047 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 9.66811 7.14779 9.65031 13.2207 9.17101 10.9552 9.69359 7.94976 7.28039 3.90634 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 9.66811 9.85198 8.51844 13.2207 9.17101 6.05258 9.69359 7.94976 5.51498 3.90634 numMergedOcc 0
10 mol 158 unq 0 iso 0 dist 8.80952 11.2678 9.96635 8.84312 8.79758 10.1247 6.34731 7.68074 7.76298 3.40919 numMergedOcc 0
11 mol 158 unq 1 iso 0 dist 8.80952 11.2678 9.96635 8.84312 8.79758 10.1247 15.1374 9.1854 8.17573 9.88034 numMergedOcc 0
12 mol 159 unq 0 iso 0 dist 7.52779 10.242 9.9368 7.2995 7.67418 13.464 7.44399 9.45909 15.7186 3.29432 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 6.36789 12.6035 6.72718 10.9895 8.11956 11.4764 9.03587 8.09915 13.4486 4.4877 numMergedOcc 0
14 mol 279 unq 0 iso 0 dist 9.16172 6.04816 7.83793 15.095 9.65535 16.4846 9.53624 8.49945 12.7149 6.51004 numMergedOcc 0
15 mol 279 unq 1 iso 0 dist 9.16172 6.04816 7.83793 15.095 9.65535 16.4846 5.02324 9.68415 7.60708 13.7436 numMergedOcc 0
16 mol 279 unq 2 iso 0 dist 9.16172 6.04816 7.83793 12.0174 8.82519 12.7862 9.53624 8.49945 12.7149 6.24409 numMergedOcc 0
17 mol 279 unq 3 iso 0 dist 9.16172 6.04816 7.83793 12.0174 8.82519 12.7862 5.02324 9.68415 7.60708 8.66313 numMergedOcc 0
