0 mol 56 unq 0 iso 0 dist 9.01516 9.10389 9.78177 13.6231 5.07125 14.4015 numMergedOcc 0
1 mol 56 unq 1 iso 0 dist 9.01516 15.9259 7.03635 13.6231 5.07125 4.67834 numMergedOcc 0
2 mol 56 unq 2 iso 0 dist 7.31255 9.82154 9.78177 8.33154 5.07125 14.4015 numMergedOcc 0
3 mol 56 unq 3 iso 0 dist 7.31255 5.83999 7.03635 8.33154 5.07125 4.67834 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 9.48391 14.9962 8.23849 15.0868 8.05514 3.89663 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 9.48391 11.1617 6.4776 15.0868 8.05514 12.6908 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 9.0907 7.08849 9.73011 7.5886 9.16452 7.78799 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.0534 9.90214 8.39494 11.5328 7.69861 6.02262 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 5.89661 6.77664 8.16531 10.5249 7.8435 6.38065 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 5.89661 6.77664 8.16531 10.3971 5.99269 9.63231 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 5.89661 6.77664 8.16531 8.75661 5.71763 13.1685 numMergedOcc 0
11 mol 93 unq 3 iso 0 dist 5.89661 9.75871 8.98593 10.5249 7.8435 16.5618 numMergedOcc 0
12 mol 93 unq 4 iso 0 dist 5.89661 9.75871 8.98593 10.3971 5.99269 14.6083 numMergedOcc 0
13 mol 93 unq 5 iso 0 dist 5.89661 9.75871 8.98593 8.75661 5.71763 4.18667 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 9.7578 11.833 5.14185 14.7654 8.999 5.35456 numMergedOcc 0
15 mol 171 unq 1 iso 0 dist 9.85967 13.1335 5.14185 13.1165 8.999 5.35456 numMergedOcc 0
16 mol 212 unq 0 iso 0 dist 7.90906 4.72503 4.72269 11.9025 5.50658 7.52135 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 7.11989 10.4947 5.98014 11.0888 7.97027 11.1253 numMergedOcc 0
18 mol 222 unq 1 iso 0 dist 7.11989 10.4947 5.98014 5.93092 6.81955 6.07403 numMergedOcc 0
19 mol 222 unq 2 iso 0 dist 7.11989 10.4947 5.98014 6.80198 4.9876 5.10026 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 9.42463 7.16132 8.47289 16.704 9.57955 11.8703 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 9.42463 7.16132 8.47289 10.6864 8.79277 4.88404 numMergedOcc 0
22 mol 250 unq 0 iso 0 dist 9.84682 14.7259 7.78686 4.59201 7.22664 10.3335 numMergedOcc 0
23 mol 250 unq 1 iso 0 dist 9.84682 14.7259 7.78686 10.7903 7.15762 6.0168 numMergedOcc 0
24 mol 250 unq 2 iso 0 dist 8.26719 9.95789 7.78686 12.7172 7.22664 10.3335 numMergedOcc 0
25 mol 250 unq 3 iso 0 dist 8.26719 9.95789 7.78686 8.25498 7.15762 6.0168 numMergedOcc 0
26 mol 276 unq 0 iso 0 dist 9.55021 11.9652 4.92907 15.5685 7.49391 4.95754 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 7.84195 4.8694 9.56438 5.03747 5.8304 5.75039 numMergedOcc 0
28 mol 279 unq 1 iso 0 dist 7.84195 4.8694 9.56438 14.9354 7.37478 15.4744 numMergedOcc 0
29 mol 279 unq 2 iso 0 dist 9.2174 14.5542 9.56438 9.59972 5.8304 5.75039 numMergedOcc 0
30 mol 279 unq 3 iso 0 dist 9.2174 14.5542 9.56438 6.63427 7.37478 15.4744 numMergedOcc 0
