0 mol 28 unq 0 iso 0 dist 6.75443 4.3475 8.79638 6.76158 5.61871 8.53424 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 6.75443 4.3475 8.79638 7.423 7.3517 7.08766 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 6.75443 4.3475 8.79638 5.89257 6.13016 4.82199 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 7.84283 4.50098 7.82759 11.8588 12.7911 8.53424 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 9.02508 4.3475 6.42785 6.76158 9.02992 8.53424 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 9.02508 4.3475 6.42785 7.423 6.51048 7.08766 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 9.02508 4.3475 6.42785 5.89257 4.18951 4.82199 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 9.04621 6.95803 5.75809 11.8984 13.5265 8.53424 numMergedOcc 0
8 mol 28 unq 8 iso 0 dist 9.04621 6.95803 5.75809 12.2067 12.1819 7.08766 numMergedOcc 0
9 mol 28 unq 9 iso 0 dist 9.04621 6.95803 5.75809 10.7835 9.28235 4.82199 numMergedOcc 0
10 mol 28 unq 10 iso 0 dist 8.44081 4.3475 5.75809 6.76158 13.5265 8.53424 numMergedOcc 0
11 mol 28 unq 11 iso 0 dist 8.44081 4.3475 5.75809 7.423 12.1819 7.08766 numMergedOcc 0
12 mol 28 unq 12 iso 0 dist 8.44081 4.3475 5.75809 5.89257 9.28235 4.82199 numMergedOcc 0
13 mol 46 unq 0 iso 0 dist 7.44944 4.64633 7.23371 7.12713 6.75911 3.77542 numMergedOcc 0
14 mol 79 unq 0 iso 0 dist 7.15006 10.3999 7.60619 10.234 4.91617 4.15789 numMergedOcc 0
15 mol 79 unq 1 iso 0 dist 7.15006 10.3999 7.60619 12.7549 8.05938 4.808 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 8.66329 14.0127 5.85622 16.4189 8.09756 6.5816 numMergedOcc 0
17 mol 151 unq 0 iso 0 dist 8.7814 12.0886 8.16646 19.9492 16.5297 9.37533 numMergedOcc 0
18 mol 176 unq 0 iso 0 dist 9.44323 9.19675 9.95907 16.8634 12.7022 8.65645 numMergedOcc 0
19 mol 176 unq 1 iso 0 dist 9.44323 9.19675 9.95907 12.1091 6.27598 6.85902 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 6.74945 4.56852 5.04072 11.9017 7.27943 7.83056 numMergedOcc 0
21 mol 220 unq 1 iso 0 dist 5.15585 3.52029 5.04072 6.18239 7.27943 7.83056 numMergedOcc 0
22 mol 268 unq 0 iso 0 dist 8.27194 4.96307 5.01283 13.5177 7.56592 9.52476 numMergedOcc 0
23 mol 284 unq 0 iso 0 dist 5.84481 4.16786 6.61811 5.06373 7.60413 5.6964 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 9.91016 7.48948 7.29668 10.9663 10.326 4.68668 numMergedOcc 0
25 mol 287 unq 1 iso 0 dist 9.39145 8.03545 7.29668 9.78059 10.326 4.68668 numMergedOcc 0
26 mol 287 unq 2 iso 0 dist 9.62793 5.28038 9.57637 9.96328 11.8739 4.68668 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 9.91016 7.48948 7.29668 10.9663 10.326 4.68668 numMergedOcc 0
28 mol 288 unq 1 iso 0 dist 9.39145 8.03545 7.29668 9.78059 10.326 4.68668 numMergedOcc 0
29 mol 288 unq 2 iso 0 dist 9.62793 5.28038 9.57637 9.96328 11.8739 4.68668 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 9.91016 7.48948 7.29668 10.9663 10.326 4.68668 numMergedOcc 0
31 mol 289 unq 1 iso 0 dist 9.39145 8.03545 7.29668 9.78059 10.326 4.68668 numMergedOcc 0
32 mol 289 unq 2 iso 0 dist 9.62793 5.28038 9.57637 9.96328 11.8739 4.68668 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 7.06322 4.34603 8.27039 4.97488 3.77627 8.07775 numMergedOcc 0
