0 mol 14 unq 0 iso 0 dist 7.0208 10.5465 9.58196 15.388 10.9516 8.60571 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 7.28563 12.3645 9.58196 17.2791 10.9516 8.60571 numMergedOcc 0
2 mol 14 unq 2 iso 0 dist 8.51112 12.3645 9.04767 17.2791 11.3111 8.60571 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 6.00307 7.95074 7.57578 10.7817 4.96681 9.22151 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 6.00307 10.3928 7.17969 10.7817 4.96681 6.22122 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 7.34549 4.76147 8.34347 9.43688 6.4487 7.51406 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 8.09068 6.30129 8.34347 8.97337 6.4487 7.51406 numMergedOcc 0
7 mol 26 unq 2 iso 0 dist 9.72289 5.93227 8.34347 7.04006 6.4487 7.51406 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.47617 15.1595 8.80331 14.166 5.90113 9.17086 numMergedOcc 0
9 mol 51 unq 0 iso 0 dist 8.99612 10.2637 9.0709 14.101 6.03084 9.23497 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 6.13476 5.77448 8.10861 4.22514 5.65405 6.54183 numMergedOcc 0
11 mol 75 unq 0 iso 0 dist 8.64872 10.4239 7.79912 16.686 13.5815 8.2147 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.59073 4.53858 5.73196 4.69247 5.29763 6.56728 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 9.88504 4.12027 9.01083 13.6959 15.0368 9.72688 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 15.713 11.8721 8.97043 numMergedOcc 0
15 mol 117 unq 0 iso 0 dist 9.60425 5.17524 9.84395 10.7189 8.12649 7.0318 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 6.47346 6.90896 5.83384 10.2237 6.65856 6.23966 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 7.15963 14.1493 9.1374 11.981 5.114 8.90247 numMergedOcc 0
18 mol 210 unq 0 iso 0 dist 7.86668 5.06314 6.18308 13.4055 12.9212 8.71409 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 9.61379 9.57016 8.95269 18.989 14.1073 9.73411 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 9.61379 9.57016 8.95269 11.9775 11.8217 7.07564 numMergedOcc 0
21 mol 229 unq 0 iso 0 dist 8.52933 10.568 9.06952 10.57 6.23084 5.00457 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 8.39522 4.88998 6.57393 10.0365 5.33697 6.06422 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 5.99187 5.74685 6.22714 10.0022 7.45873 4.87108 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 5.99187 5.74685 6.22714 9.42047 5.17954 6.54455 numMergedOcc 0
25 mol 238 unq 3 iso 0 dist 5.99187 5.87189 7.31233 10.0022 7.45873 7.64276 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 6.92721 9.00069 6.16342 10.6638 7.02319 8.61729 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 5.31858 6.60345 6.42289 10.3662 6.50871 8.9706 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 5.29682 5.48552 8.53687 5.80603 5.20592 5.75874 numMergedOcc 0
29 mol 261 unq 0 iso 0 dist 6.85589 4.31412 8.43057 10.7382 9.27298 8.17205 numMergedOcc 0
30 mol 261 unq 1 iso 0 dist 6.68878 4.31412 6.05727 10.7382 7.8624 8.17205 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 9.00498 5.7052 9.17653 12.482 12.3593 6.8902 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 6.78702 4.75685 8.4218 8.9413 11.4819 5.3051 numMergedOcc 0
33 mol 265 unq 1 iso 0 dist 8.59825 11.5105 8.4218 13.9884 11.4819 5.3051 numMergedOcc 0
34 mol 280 unq 0 iso 0 dist 9.0021 12.6862 6.53701 13.7828 8.30978 8.80588 numMergedOcc 0
