0 mol 38 unq 0 iso 0 dist 9.49676 9.70612 16.3301 6.12182 5.73067 15.1366 8.19077 5.79134 12.0651 7.50293 numMergedOcc 0
1 mol 38 unq 1 iso 0 dist 9.49676 9.70612 16.3301 6.12182 5.73067 15.1366 13.1327 5.48241 17.6831 9.91611 numMergedOcc 0
2 mol 38 unq 2 iso 0 dist 9.49676 6.46781 11.1811 6.12182 5.73067 10.3882 8.19077 5.79134 6.52757 7.50293 numMergedOcc 0
3 mol 38 unq 3 iso 0 dist 9.49676 6.46781 11.1811 6.12182 5.73067 10.3882 13.1327 5.48241 12.2636 9.91611 numMergedOcc 0
4 mol 38 unq 4 iso 0 dist 9.49676 8.19077 5.79134 6.12182 5.73067 7.50293 13.1327 5.48241 5.79773 9.91611 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 8.21127 5.11612 6.75472 6.86762 5.02717 5.83991 12.9567 5.28901 10.8507 7.30858 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 8.21127 5.11612 6.75472 6.86762 5.02717 5.83991 11.7895 11.0268 8.02349 7.88312 numMergedOcc 0
7 mol 115 unq 2 iso 0 dist 7.99121 5.22628 6.59772 6.8104 4.98864 6.11741 11.2519 10.9437 7.69052 7.88312 numMergedOcc 0
8 mol 115 unq 3 iso 0 dist 6.30982 5.22628 4.86477 6.8104 7.95871 6.11741 11.2519 12.0354 7.69052 7.88312 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.86691 9.05674 4.84607 4.32516 9.3894 6.5107 12.2159 13.0836 9.56949 9.52634 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 5.7232 8.94909 5.37072 6.80087 5.82404 8.00618 12.8006 10.2385 11.965 6.29155 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 5.7232 8.94909 5.37072 6.80087 5.82404 8.00618 9.73536 4.64588 7.79672 6.80239 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 5.08796 6.43406 4.3158 10.9813 9.84952 7.81386 13.9818 12.9554 8.85576 7.63312 numMergedOcc 0
13 mol 196 unq 0 iso 0 dist 5.76319 7.84536 4.57882 7.23208 9.99314 10.1741 10.2561 6.70722 7.5617 9.62191 numMergedOcc 0
14 mol 196 unq 1 iso 0 dist 5.30132 7.07723 4.57882 11.373 9.99314 10.1741 11.7823 6.70722 7.5617 9.62191 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 4.43243 5.99137 4.15973 5.03598 5.66569 6.27581 11.0371 11.2013 7.28249 9.99038 numMergedOcc 0
16 mol 236 unq 1 iso 0 dist 5.92025 5.99137 9.01197 5.03598 6.11137 6.27581 11.0371 15.1664 7.28249 9.99038 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 8.62592 5.31858 7.52881 6.60345 5.73834 6.42289 11.1218 6.48867 7.26417 6.60405 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 8.62592 5.71851 12.3042 6.60345 5.73834 10.1675 11.1218 6.48867 12.3211 6.60405 numMergedOcc 0
19 mol 258 unq 2 iso 0 dist 8.62592 5.71851 12.3042 6.60345 5.73834 10.1675 5.31858 7.52881 5.30627 6.42289 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 8.93002 5.29682 6.64729 5.56656 8.06771 8.13497 6.20344 9.79538 4.69778 7.88519 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 8.93002 6.20344 9.79538 5.56656 8.06771 7.88519 5.29682 6.64729 4.69778 8.13497 numMergedOcc 0
22 mol 259 unq 2 iso 0 dist 6.83706 8.69345 10.7398 9.03495 6.42725 11.5135 10.0986 8.70769 8.00116 5.30224 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 6.98451 7.83102 9.74462 11.5105 9.772 16.8861 8.59825 5.75478 9.87519 8.4218 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 5.76223 8.44108 9.68222 9.5588 9.30668 17.4207 10.7611 8.04474 16.6795 8.2734 numMergedOcc 0
