0 mol 28 unq 0 iso 0 dist 6.75443 6.76158 5.61871 4.3475 8.79638 8.53424 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 6.75443 7.423 7.3517 4.3475 8.79638 7.08766 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 6.75443 5.89257 6.13016 4.3475 8.79638 4.82199 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 9.02508 6.76158 9.02992 4.3475 6.42785 8.53424 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 9.02508 7.423 6.51048 4.3475 6.42785 7.08766 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 9.02508 5.89257 4.18951 4.3475 6.42785 4.82199 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 9.04621 5.98169 15.0049 6.95803 5.75809 12.2603 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 8.44081 6.76158 13.5265 4.3475 5.75809 8.53424 numMergedOcc 0
8 mol 28 unq 8 iso 0 dist 8.44081 7.423 12.1819 4.3475 5.75809 7.08766 numMergedOcc 0
9 mol 28 unq 9 iso 0 dist 8.44081 5.89257 9.28235 4.3475 5.75809 4.82199 numMergedOcc 0
10 mol 46 unq 0 iso 0 dist 7.44944 7.12713 6.75911 4.64633 7.23371 3.77542 numMergedOcc 0
11 mol 53 unq 0 iso 0 dist 7.51579 9.92412 5.27667 6.96048 8.69387 11.8519 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 7.15006 9.94133 5.11766 10.3999 7.60619 12.5014 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 8.91629 9.77654 5.29427 9.62739 8.44004 11.4623 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 6.01062 6.80203 6.06037 4.71092 6.93017 10.6564 numMergedOcc 0
15 mol 176 unq 0 iso 0 dist 9.44323 5.23992 11.5221 9.19675 9.95907 14.2028 numMergedOcc 0
16 mol 176 unq 1 iso 0 dist 9.44323 7.91974 14.3258 9.19675 9.95907 16.9031 numMergedOcc 0
17 mol 176 unq 2 iso 0 dist 9.44323 9.1617 12.9083 9.19675 9.95907 16.5992 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 5.15585 6.18239 7.27943 3.52029 5.04072 7.83056 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 5.15585 6.18239 7.27943 8.77645 8.67956 13.4804 numMergedOcc 0
20 mol 284 unq 0 iso 0 dist 5.84481 5.06373 7.60413 4.16786 6.61811 5.6964 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 7.06322 4.97488 3.77627 4.34603 8.27039 8.07775 numMergedOcc 0
