0 mol 2 unq 0 iso 0 dist 9.9335 7.99162 11.2776 10.8368 6.15195 15.0494 6.38677 7.37296 9.58976 6.80804 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.9335 7.99162 11.2776 10.8368 6.15195 15.0494 5.59831 11.9277 6.35342 12.9047 numMergedOcc 0
2 mol 2 unq 2 iso 0 dist 9.9335 7.99162 11.2776 6.38677 7.37296 9.58976 5.59831 11.9277 6.35342 6.23988 numMergedOcc 0
3 mol 4 unq 0 iso 0 dist 6.22303 8.66947 6.8787 5.13908 8.7041 13.0418 6.80703 9.84876 9.71908 11.2643 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 8.62634 6.68517 6.05535 4.94804 9.31149 10.2723 10.1407 14.0448 8.47315 14.1984 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 7.96502 5.50504 6.32949 5.25196 8.30431 9.62468 6.97911 4.628 5.92705 8.0979 numMergedOcc 0
6 mol 61 unq 1 iso 0 dist 7.96502 5.50504 6.32949 6.97911 4.628 5.92705 5.25196 8.30431 9.62468 8.0979 numMergedOcc 0
7 mol 86 unq 0 iso 0 dist 8.45341 5.63037 9.69527 5.16705 9.62655 10.7627 6.2653 10.6558 7.8018 8.76237 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 8.98532 8.3558 5.1767 12.3568 9.56884 12.9107 5.38868 8.67865 4.98104 14.4981 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 8.98532 8.3558 5.1767 5.80362 8.40148 10.7379 5.38868 8.67865 4.98104 10.1168 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 6.7095 8.84131 7.49575 13.457 8.63522 12.8661 10.8385 5.43401 9.10229 3.9342 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 6.15949 6.99793 7.65733 10.0602 8.9922 12.8848 5.67441 5.31281 7.25166 5.67339 numMergedOcc 0
12 mol 114 unq 1 iso 0 dist 6.15949 6.71345 5.24877 10.0602 8.9922 10.2889 5.67441 5.31281 8.42445 5.67339 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 9.3355 8.04723 13.6129 5.50567 6.25455 12.1615 6.1397 8.14441 8.0974 5.82281 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 8.80671 7.49412 6.81625 5.98568 7.6402 10.818 11.7007 10.7247 9.31246 12.6951 numMergedOcc 0
15 mol 285 unq 0 iso 0 dist 8.17214 8.33653 5.93692 14.6688 8.63954 13.8061 8.64319 4.74716 8.71213 6.55738 numMergedOcc 0
