0 mol 7 unq 0 iso 0 dist 8.36111 17.4437 9.87885 17.0751 12.8323 8.41585 18.0163 14.8356 12.0193 5.99972 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.36111 5.77391 6.1206 11.9671 7.12508 7.10621 18.7757 11.2901 13.8829 8.72114 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.99898 5.77391 7.67927 11.9671 11.143 7.10621 18.7757 16.0449 13.8829 8.72114 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.2834 10.3415 7.67927 16.4849 11.143 7.10621 21.2487 16.0449 13.8829 8.72114 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 6.21616 5.70228 7.65889 8.59049 6.86055 4.7319 5.11248 5.94982 6.51133 6.72833 numMergedOcc 0
5 mol 16 unq 1 iso 0 dist 6.21616 5.61445 6.42835 8.82587 5.01101 5.05803 5.11248 5.94982 5.30082 6.93532 numMergedOcc 0
6 mol 16 unq 2 iso 0 dist 9.45103 5.61445 6.57331 8.82587 4.65873 5.05803 5.11248 10.0132 5.30082 6.93532 numMergedOcc 0
7 mol 16 unq 3 iso 0 dist 9.45103 12.5048 8.43054 8.82587 4.65873 6.31718 5.11248 10.0132 10.4366 6.93532 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 9.39274 11.5983 7.99919 6.23095 4.77954 6.03987 12.1434 10.4755 5.82503 8.6653 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 9.95169 4.96681 9.48085 9.22151 5.18617 7.57578 6.63966 6.53269 6.08585 8.50222 numMergedOcc 0
10 mol 25 unq 2 iso 0 dist 9.95169 4.96681 9.48085 6.22122 5.68041 7.17969 6.63966 6.53269 6.08585 7.55264 numMergedOcc 0
11 mol 25 unq 3 iso 0 dist 9.95169 12.2441 9.49421 14.305 13.6145 5.04899 6.63966 6.53269 5.77929 8.87757 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 4.79891 4.72129 7.02507 8.05602 7.03983 6.48948 11.0132 9.84743 7.42446 6.65501 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 6.74197 11.0642 7.54889 15.44 10.4782 6.10456 14.016 8.46823 9.67482 6.65501 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 5.30117 5.92158 5.35782 5.70279 5.47563 7.47343 10.838 13.2383 12.2861 8.30845 numMergedOcc 0
15 mol 100 unq 1 iso 0 dist 5.30117 5.92158 5.35782 5.70279 5.47563 7.47343 11.4018 11.4348 15.5385 8.76378 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 4.79003 7.33132 7.22643 9.79004 6.9945 8.22656 13.2968 13.0475 10.6025 7.71248 numMergedOcc 0
17 mol 155 unq 0 iso 0 dist 8.14405 7.92939 8.97626 5.68636 4.91785 6.43582 5.52764 9.16358 5.50031 7.92304 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 8.51427 5.60111 5.56538 5.47561 6.84862 7.21333 10.3328 8.43195 7.75656 7.67576 numMergedOcc 0
19 mol 222 unq 1 iso 0 dist 8.51427 5.60111 5.56538 5.47561 6.84862 7.21333 15.0445 14.0832 16.0949 9.82371 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 5.88041 13.1803 8.08349 10.6043 5.13732 6.61986 12.3328 10.7847 12.4692 9.51597 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 6.95658 5.20592 9.07743 10.9903 8.8603 8.13497 13.4826 14.6679 8.41846 7.98231 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 6.95658 6.80302 7.66153 10.9903 8.8603 7.88519 13.4826 14.6679 8.81835 7.98231 numMergedOcc 0
23 mol 259 unq 2 iso 0 dist 6.95658 6.80302 7.66153 13.7903 11.8896 7.46176 13.4826 14.6679 8.81835 7.08526 numMergedOcc 0
