0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 6.06176 6.36911 7.45262 10.3148 5.03847 10.1959 9.97624 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 6.06176 6.36911 6.96586 10.3148 5.03847 13.9514 9.97624 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 5.72491 5.44992 10.515 9.36807 7.45262 8.72114 13.8829 10.1959 9.97624 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 8.57077 9.78006 3.98483 5.60154 8.47421 8.04924 9.62394 9.5997 7.28672 9.57198 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 4.70708 9.43699 8.5404 9.01548 13.9331 9.12941 6.63839 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 8.34347 5.69955 10.6756 9.87119 17.2621 7.61055 10.177 15.5 5.30297 7.3022 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 7.5732 6.34525 11.128 5.31367 12.383 8.06525 6.84011 7.436 8.51024 8.809 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 7.30858 5.72642 5.61704 11.7126 11.695 9.9928 12.13 13.2157 9.18958 5.60389 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 5.83991 5.72642 6.4497 11.7126 13.9977 9.9928 12.13 11.8511 9.18958 5.60389 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 7.88312 5.72642 7.3094 11.7126 6.99777 9.9928 12.13 5.22052 9.18958 5.60389 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 10.6679 9.63176 5.85818 17.9198 15.5019 11.7884 7.26955 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 9.87172 7.99857 7.61939 7.36192 7.44174 5.85818 14.2293 10.314 11.7884 7.26955 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 5.44503 9.93541 6.40901 9.14266 10.4028 5.99865 9.30424 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 5.99315 7.63338 12.8872 6.01455 9.27292 8.1582 7.78652 6.48978 11.5146 6.46089 numMergedOcc 0
14 mol 143 unq 2 iso 0 dist 5.99315 7.63338 12.8872 5.44503 9.93541 9.40626 9.14266 10.4028 11.2236 9.30424 numMergedOcc 0
15 mol 143 unq 3 iso 0 dist 5.99315 7.25673 9.23795 6.01455 9.27292 7.88655 7.78652 6.48978 6.60479 6.46089 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 8.34702 7.73169 5.71107 5.07967 10.7757 7.04913 7.30357 10.4977 8.40261 7.30946 numMergedOcc 0
17 mol 156 unq 1 iso 0 dist 9.06726 7.73169 11.2067 5.07967 13.5803 7.04913 7.30357 12.3086 8.40261 7.30946 numMergedOcc 0
18 mol 156 unq 2 iso 0 dist 8.33171 7.73169 9.44399 5.07967 11.7927 7.04913 7.30357 7.79535 8.40261 7.30946 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 10.0524 10.7636 9.52987 10.6908 8.04639 11.1881 6.32777 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 5.98885 6.51749 5.93488 10.0524 7.13543 9.52987 10.6908 5.77299 11.1881 6.32777 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 9.09537 7.20392 5.93488 5.95965 7.13543 9.52987 11.3325 5.77299 11.1881 6.32777 numMergedOcc 0
22 mol 181 unq 3 iso 0 dist 9.15386 6.51749 7.64267 10.0524 11.8099 9.52987 10.6908 8.85666 11.1881 6.32777 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 5.59424 7.24199 7.0057 5.71262 8.36822 8.53433 8.77999 8.49529 3.86183 7.33225 numMergedOcc 0
24 mol 192 unq 1 iso 0 dist 7.00794 7.24199 8.51255 5.71262 12.1647 8.53433 8.77999 11.7523 3.86183 7.33225 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 9.34734 8.03442 10.2525 6.43754 12.4085 7.1372 5.41321 10.7656 4.59123 7.57454 numMergedOcc 0
26 mol 227 unq 1 iso 0 dist 7.22101 8.03442 10.5813 6.43754 8.17891 7.1372 5.41321 10.9607 4.59123 7.57454 numMergedOcc 0
27 mol 227 unq 2 iso 0 dist 8.65997 8.03442 7.22396 6.43754 6.95902 7.1372 5.41321 9.72615 4.59123 7.57454 numMergedOcc 0
28 mol 227 unq 3 iso 0 dist 7.56888 8.03442 6.10296 6.43754 11.004 7.1372 5.41321 5.10635 4.59123 7.57454 numMergedOcc 0
29 mol 227 unq 4 iso 0 dist 7.55216 8.03442 9.69537 6.43754 12.8864 7.1372 5.41321 6.48027 4.59123 7.57454 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 5.72887 7.32982 12.3808 8.85181 13.9989 9.42618 12.6066 18.2598 6.84212 8.81629 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 5.72887 7.32982 12.3808 8.85181 13.9989 9.42618 9.24557 14.7883 4.77308 6.87131 numMergedOcc 0
32 mol 238 unq 2 iso 0 dist 5.72887 7.32982 12.3808 8.85181 13.9989 9.42618 12.9364 17.6692 10.2777 9.69818 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 5.79468 7.48005 6.39918 7.08526 8.81835 6.31909 8.71497 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 5.30224 8.59697 7.31951 5.31048 8.37865 6.39918 10.4552 8.75685 6.31909 8.71497 numMergedOcc 0
