0 mol 76 unq 0 iso 0 dist 7.41861 6.46582 8.58474 7.7047 5.73235 9.0369 12.1652 5.22567 11.7688 7.02854 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 5.55798 7.06029 4.13187 6.05149 8.64686 6.65972 8.71103 9.57704 8.14479 7.41952 numMergedOcc 0
2 mol 129 unq 0 iso 0 dist 5.16531 7.04904 4.39633 12.2874 9.52061 11.0632 11.6486 7.12885 5.98101 8.34427 numMergedOcc 0
3 mol 129 unq 1 iso 0 dist 5.16531 5.06053 4.13875 12.2874 9.52061 12.8156 11.6486 7.12885 8.71811 8.34427 numMergedOcc 0
4 mol 129 unq 2 iso 0 dist 6.65878 7.84813 6.61102 5.0466 7.6453 4.4077 8.63018 5.06265 6.14663 7.07421 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 6.9268 4.82356 4.63862 8.75242 5.79195 9.35049 6.85651 5.35551 3.75786 9.07294 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 6.9268 4.82356 4.63862 14.0828 9.2759 10.3668 16.9398 10.8516 12.7553 5.12189 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 6.9268 4.82356 4.63862 14.0828 9.2759 10.3668 6.85651 5.35551 3.75786 7.50126 numMergedOcc 0
8 mol 133 unq 3 iso 0 dist 8.19166 8.83476 4.63862 6.45333 5.79195 9.35049 7.03858 5.35551 3.75786 9.07294 numMergedOcc 0
9 mol 133 unq 4 iso 0 dist 8.19166 8.83476 4.63862 11.5586 9.2759 10.3668 15.5532 10.8516 12.7553 5.12189 numMergedOcc 0
10 mol 133 unq 5 iso 0 dist 8.19166 8.83476 4.63862 11.5586 9.2759 10.3668 7.03858 5.35551 3.75786 7.50126 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 5.47265 8.76449 10.0388 7.75436 5.32865 14.6837 8.52428 4.61905 10.4515 9.13646 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 5.47265 8.36182 9.71714 7.75436 5.32865 14.6067 8.52428 4.61905 9.02691 9.13646 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 9.78743 5.05414 10.6325 13.2525 6.2016 15.7742 7.252 5.21255 9.52346 7.30965 numMergedOcc 0
14 mol 192 unq 1 iso 0 dist 9.78743 7.16964 7.64178 13.2525 6.2016 12.9612 7.252 5.21255 6.78691 7.30965 numMergedOcc 0
15 mol 230 unq 0 iso 0 dist 5.19913 6.99256 3.86973 6.28086 9.24729 8.01593 11.236 11.0843 7.62813 6.88683 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 5.9223 6.61322 5.05766 9.26732 8.58092 5.94328 10.3095 13.2474 8.9947 8.97411 numMergedOcc 0
17 mol 265 unq 0 iso 0 dist 9.94957 5.8898 13.1075 4.47698 7.52632 9.92016 10.3071 3.89234 12.0423 9.50814 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.3388 6.16127 5.03775 5.66584 6.96774 9.31611 12.4464 10.4601 14.6969 8.0935 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 6.96248 6.16127 8.95194 5.66584 7.14859 9.31611 12.4464 8.13485 14.6969 8.0935 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 7.3388 6.16127 5.03775 5.66584 6.96774 9.31611 12.4464 10.4601 14.6969 8.0935 numMergedOcc 0
21 mol 288 unq 1 iso 0 dist 6.96248 6.16127 8.95194 5.66584 7.14859 9.31611 12.4464 8.13485 14.6969 8.0935 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 7.3388 6.16127 5.03775 5.66584 6.96774 9.31611 12.4464 10.4601 14.6969 8.0935 numMergedOcc 0
23 mol 289 unq 1 iso 0 dist 6.96248 6.16127 8.95194 5.66584 7.14859 9.31611 12.4464 8.13485 14.6969 8.0935 numMergedOcc 0
