0 mol 26 unq 0 iso 0 dist 8.65828 4.52042 9.80897 10.9309 12.8257 8.34347 11.5448 15.3756 10.6756 5.69955 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.67459 9.69698 8.03754 15.7652 14.0204 8.80331 15.4386 16.8389 9.06158 9.93832 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.67459 9.69698 8.03754 15.8918 13.1056 6.20293 15.4386 16.8389 9.06158 8.60739 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.88969 8.50779 9.75265 7.98444 5.03467 8.95999 6.75062 12.6209 7.29086 9.44501 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 7.66362 11.1155 9.74802 11.2717 5.43139 9.65964 15.8839 9.76877 9.03317 6.54023 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.7939 10.3774 7.23812 11.0108 12.8453 9.96396 9.9619 12.238 8.26458 7.04044 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.7939 10.3774 7.23812 10.9082 9.59988 6.19304 9.9619 12.238 8.26458 8.73253 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 6.7939 10.3774 7.23812 8.16299 7.80518 8.70481 11.9686 15.5713 14.8866 8.85586 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 6.7939 10.3774 7.23812 8.16299 7.80518 8.70481 11.4934 12.125 8.05119 7.11 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 8.44695 12.6626 7.23812 20.562 12.8453 9.96396 17.7342 12.238 8.26458 7.04044 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 8.44695 12.6626 7.23812 17.327 9.59988 6.19304 17.7342 12.238 8.26458 8.73253 numMergedOcc 0
11 mol 73 unq 6 iso 0 dist 8.44695 12.6626 7.23812 8.27015 7.80518 8.70481 16.4476 15.5713 14.8866 8.85586 numMergedOcc 0
12 mol 73 unq 7 iso 0 dist 8.44695 12.6626 7.23812 8.27015 7.80518 8.70481 14.727 12.125 8.05119 7.11 numMergedOcc 0
13 mol 73 unq 8 iso 0 dist 5.68894 9.64124 7.23812 16.3948 12.8453 9.96396 16.7713 12.238 8.26458 7.04044 numMergedOcc 0
14 mol 73 unq 9 iso 0 dist 5.68894 9.64124 7.23812 11.801 9.59988 6.19304 16.7713 12.238 8.26458 8.73253 numMergedOcc 0
15 mol 73 unq 10 iso 0 dist 5.68894 9.64124 7.23812 12.2721 7.80518 8.70481 20.7558 15.5713 14.8866 8.85586 numMergedOcc 0
16 mol 73 unq 11 iso 0 dist 5.68894 9.64124 7.23812 12.2721 7.80518 8.70481 16.2788 12.125 8.05119 7.11 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 9.27341 9.50073 8.41774 15.3848 13.1435 8.56324 15.0548 17.4405 9.35627 9.77552 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 9.27341 9.50073 8.41774 16.0753 13.793 6.70283 15.0548 17.4405 9.35627 8.28642 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 7.99609 5.01062 7.73634 8.7419 4.81992 6.00706 7.26742 5.98014 6.42798 7.862 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 7.75366 10.1036 4.80834 13.6759 7.04671 5.72887 17.2601 12.3408 12.3808 7.32982 numMergedOcc 0
21 mol 248 unq 0 iso 0 dist 7.51278 5.68749 8.98788 12.7933 9.01779 9.56569 10.4208 10.913 6.71566 6.77954 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 8.73425 5.13233 9.04358 10.7821 8.81588 6.60405 12.2193 12.869 7.42673 6.70815 numMergedOcc 0
23 mol 258 unq 1 iso 0 dist 8.73425 5.13233 9.04358 8.21585 5.90131 6.42289 12.2193 12.869 7.42673 7.99477 numMergedOcc 0
24 mol 258 unq 2 iso 0 dist 8.73425 5.13233 9.04358 8.21585 5.90131 6.42289 8.45446 12.8643 6.44209 7.86627 numMergedOcc 0
