0 mol 20 unq 0 iso 0 dist 8.45034 12.221 8.81141 9.20585 8.67928 12.0703 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 5.98456 5.16784 5.81836 4.29919 8.35396 5.45023 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.57191 5.6721 5.64989 15.0409 9.69315 9.43915 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 8.47416 12.4295 9.4871 6.71593 8.79595 6.71323 numMergedOcc 0
4 mol 108 unq 0 iso 0 dist 9.87572 11.8169 7.81531 13.9156 7.3542 5.3043 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 9.43487 14.2684 8.97819 14.8221 5.9758 6.70172 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 9.97052 11.5713 8.97819 13.6711 5.9758 6.70172 numMergedOcc 0
7 mol 113 unq 2 iso 0 dist 7.3324 14.7564 8.97819 9.69428 5.9758 6.70172 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 6.29634 9.79485 8.81779 4.01593 7.84768 6.96805 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 9.64841 11.4158 6.49708 5.50994 8.03721 10.8643 numMergedOcc 0
10 mol 148 unq 1 iso 0 dist 9.64841 11.4158 6.49708 13.1585 9.87021 7.23332 numMergedOcc 0
11 mol 148 unq 2 iso 0 dist 9.64841 11.4158 6.49708 12.5438 7.34023 7.89336 numMergedOcc 0
12 mol 150 unq 0 iso 0 dist 9.5865 11.4182 6.45018 5.60348 8.13558 11.0516 numMergedOcc 0
13 mol 150 unq 1 iso 0 dist 9.5865 11.4182 6.45018 13.166 9.96938 7.35366 numMergedOcc 0
14 mol 150 unq 2 iso 0 dist 9.5865 11.4182 6.45018 12.5712 7.35268 7.86976 numMergedOcc 0
15 mol 151 unq 0 iso 0 dist 8.13302 14.3361 9.07182 11.8762 7.80544 15.715 numMergedOcc 0
16 mol 151 unq 1 iso 0 dist 5.11555 7.48212 9.07182 12.3644 7.80544 15.715 numMergedOcc 0
17 mol 151 unq 2 iso 0 dist 8.29457 10.4263 9.07182 9.40926 7.80544 15.715 numMergedOcc 0
18 mol 163 unq 0 iso 0 dist 6.54995 6.56076 7.27002 12.5525 9.54144 15.9955 numMergedOcc 0
19 mol 163 unq 1 iso 0 dist 6.54995 6.56076 7.27002 10.2822 6.98345 12.9415 numMergedOcc 0
20 mol 163 unq 2 iso 0 dist 6.54995 6.56076 7.27002 4.37572 7.49813 5.87447 numMergedOcc 0
21 mol 163 unq 3 iso 0 dist 5.27374 9.55758 7.27002 8.81556 9.54144 15.9955 numMergedOcc 0
22 mol 163 unq 4 iso 0 dist 5.27374 9.55758 7.27002 7.13379 6.98345 12.9415 numMergedOcc 0
23 mol 163 unq 5 iso 0 dist 5.27374 9.55758 7.27002 7.05786 7.49813 5.87447 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 9.2747 9.06963 7.75632 4.47323 6.73995 6.29877 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 8.71602 10.2652 7.9637 6.24225 7.51714 5.80425 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 7.03647 9.67929 9.18343 11.3186 7.93342 8.98957 numMergedOcc 0
27 mol 237 unq 0 iso 0 dist 7.11512 6.68355 8.32964 3.96327 7.3216 5.90415 numMergedOcc 0
28 mol 251 unq 0 iso 0 dist 6.32455 9.21735 6.12282 9.91455 7.81441 7.04387 numMergedOcc 0
29 mol 251 unq 1 iso 0 dist 6.32455 4.6808 6.99995 9.91455 7.81441 6.51605 numMergedOcc 0
