0 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 10.4452 10.0952 8.86116 17.8401 17.2959 16.6906 8.20058 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 18.5427 13.3558 8.70481 16.1129 10.9082 10.3774 8.16299 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 6.30194 10.5627 6.19304 18.5427 13.3558 8.70481 20.512 17.327 12.6626 8.27015 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 5.79954 12.8388 9.96396 10.4766 5.4148 6.19304 15.8227 10.1112 13.4367 8.124 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 5.79954 12.8388 9.96396 15.4777 14.9342 8.70481 12.5841 11.0108 10.3774 8.16299 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 5.79954 12.8388 9.96396 15.4777 14.9342 8.70481 22.6832 20.562 12.6626 8.27015 numMergedOcc 0
6 mol 73 unq 5 iso 0 dist 7.01889 15.0744 9.96396 10.997 5.4148 6.19304 11.8814 10.1112 13.4367 8.124 numMergedOcc 0
7 mol 73 unq 6 iso 0 dist 7.01889 15.0744 9.96396 17.1639 14.9342 8.70481 10.351 11.0108 10.3774 8.16299 numMergedOcc 0
8 mol 73 unq 7 iso 0 dist 7.01889 15.0744 9.96396 17.1639 14.9342 8.70481 22.4358 20.562 12.6626 8.27015 numMergedOcc 0
9 mol 75 unq 0 iso 0 dist 8.24814 5.06305 8.56639 7.118 5.64643 7.79912 10.7293 13.0332 13.5815 8.2147 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 9.57498 6.89762 6.45675 10.0165 5.33144 7.47343 9.16553 8.96916 5.92158 5.70279 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 8.35604 11.9798 7.11972 16.1591 10.498 6.90986 10.6714 9.47822 5.14332 8.46684 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 7.83568 11.3906 7.11972 17.2205 10.498 6.90986 12.7264 9.47822 5.14332 8.46684 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 7.15203 9.71227 8.22656 11.0475 5.61668 6.82262 8.86818 9.79004 7.33132 8.43069 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 9.89098 8.96845 9.91388 12.2343 6.761 7.24514 14.3721 14.9707 10.0277 9.79004 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 7.97208 5.00817 6.49416 6.50741 7.27598 6.50005 5.57904 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 7.97208 9.52819 6.49416 5.67862 5.00817 6.37586 6.50741 5.57904 6.50005 7.27598 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 6.96379 10.908 8.13497 14.2826 10.582 8.53687 15.031 10.9903 5.20592 5.75874 numMergedOcc 0
18 mol 261 unq 0 iso 0 dist 7.15785 6.5875 8.02547 9.43169 5.51688 6.05727 5.72823 9.95681 5.79827 9.05762 numMergedOcc 0
19 mol 261 unq 1 iso 0 dist 9.43169 6.5875 6.05727 7.15785 5.51688 8.02547 5.72823 9.05762 5.79827 9.95681 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 4.78812 5.27123 8.33638 6.62923 5.40809 8.46116 11.1133 12.3168 10.4451 7.31993 numMergedOcc 0
