0 mol 7 unq 0 iso 0 dist 7.32392 10.5949 6.7985 10.1204 9.0379 9.68596 15.8143 16.7601 14.7759 8.41585 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.15434 10.7937 8.72114 12.8628 11.8172 6.02702 16.6114 11.0773 8.43473 9.60499 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 4.92734 7.97177 8.53529 6.57999 8.4069 7.18019 7.35767 8.96553 4.36226 9.62879 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 6.4754 5.3298 7.18019 11.9453 8.4069 8.53529 7.06064 9.62879 4.36226 8.96553 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 6.57999 7.97177 7.18019 4.92734 8.4069 8.53529 7.35767 9.62879 4.36226 8.96553 numMergedOcc 0
5 mol 8 unq 3 iso 0 dist 7.3795 5.3298 8.44009 11.9453 12.9016 8.53529 7.06064 12.4058 4.36226 8.96553 numMergedOcc 0
6 mol 8 unq 4 iso 0 dist 7.3795 5.3298 8.44009 6.4754 6.23795 7.18019 7.06064 12.4058 4.36226 9.62879 numMergedOcc 0
7 mol 16 unq 0 iso 0 dist 8.59049 5.11248 6.72833 8.82587 10.4852 6.93532 5.61445 11.0958 5.30082 5.05803 numMergedOcc 0
8 mol 16 unq 1 iso 0 dist 8.59049 5.11248 6.72833 8.82587 10.4852 6.93532 12.5048 15.8605 10.4366 6.31718 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 8.20058 13.4836 8.60554 15.5985 14.6259 8.4051 17.0327 13.2433 5.11617 5.54419 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 8.20058 13.4836 8.60554 15.5985 14.6259 8.4051 12.9556 15.5296 13.2229 7.36323 numMergedOcc 0
11 mol 24 unq 2 iso 0 dist 8.20058 13.4836 8.60554 17.2959 10.0952 7.29868 16.6906 8.86116 8.52463 6.86014 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 8.20058 9.04355 9.44691 15.5985 14.6259 8.75662 17.0327 13.2433 10.8238 5.54419 numMergedOcc 0
13 mol 24 unq 4 iso 0 dist 8.20058 9.04355 9.44691 15.5985 14.6259 8.75662 12.9556 15.5296 6.7828 7.36323 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 6.23095 12.1434 8.6653 11.9439 10.6808 7.92503 15.3244 13.7311 6.11127 7.57578 numMergedOcc 0
15 mol 25 unq 1 iso 0 dist 6.23095 12.1434 8.6653 11.9439 10.6808 7.92503 16.1416 12.9968 5.30154 7.17969 numMergedOcc 0
16 mol 25 unq 2 iso 0 dist 9.22151 6.63966 8.50222 14.305 15.5644 8.87757 12.2441 12.7009 5.77929 5.04899 numMergedOcc 0
17 mol 25 unq 3 iso 0 dist 9.22151 6.63966 8.50222 6.22122 4.33106 7.55264 4.96681 7.57578 6.08585 7.17969 numMergedOcc 0
18 mol 25 unq 4 iso 0 dist 6.22122 6.63966 7.55264 14.305 16.1048 8.87757 12.2441 12.8117 5.77929 5.04899 numMergedOcc 0
19 mol 25 unq 5 iso 0 dist 6.22122 6.63966 7.55264 9.22151 4.33106 8.50222 4.96681 7.17969 6.08585 7.57578 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 8.22596 6.21679 7.80975 12.2079 10.8586 7.10378 12.6449 10.1489 10.6848 7.17106 numMergedOcc 0
21 mol 100 unq 1 iso 0 dist 5.70279 10.838 8.30845 11.3277 5.88134 7.01812 5.85449 6.65086 5.80144 9.60661 numMergedOcc 0
22 mol 100 unq 2 iso 0 dist 5.70279 10.838 8.30845 11.3277 5.88134 7.01812 14.5809 10.5134 8.4128 7.17106 numMergedOcc 0
23 mol 100 unq 3 iso 0 dist 5.70279 10.838 8.30845 11.3277 5.88134 7.01812 7.68675 6.56369 10.0456 9.35224 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 8.62648 9.25614 6.52773 11.5266 4.85907 9.11344 16.3727 12.6489 10.9441 9.87172 numMergedOcc 0
25 mol 125 unq 0 iso 0 dist 7.76202 7.74181 7.47069 13.0388 11.8325 9.3778 15.1611 17.1992 11.0769 8.62381 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 9.79004 13.2968 7.71248 14.9707 6.761 9.97654 10.0277 7.24514 4.34568 9.91388 numMergedOcc 0
27 mol 133 unq 1 iso 0 dist 9.79004 13.2968 7.71248 16.8376 7.6656 6.66772 19.1719 12.0352 7.12976 6.5107 numMergedOcc 0
28 mol 133 unq 2 iso 0 dist 9.79004 13.2968 7.71248 16.8376 7.6656 6.66772 10.0277 7.24514 4.34568 9.52634 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 5.57904 12.4426 7.80532 11.3191 5.79898 5.83771 7.41837 6.54501 7.41674 9.89303 numMergedOcc 0
30 mol 156 unq 0 iso 0 dist 9.19499 5.02458 9.44367 7.11647 5.56175 7.90267 5.59399 12.0598 6.03934 7.66148 numMergedOcc 0
31 mol 156 unq 1 iso 0 dist 9.19499 5.02458 9.44367 7.11647 5.56175 7.90267 5.66289 7.44554 5.4555 8.94056 numMergedOcc 0
32 mol 156 unq 2 iso 0 dist 7.11647 5.02458 7.90267 9.19499 5.56175 9.44367 5.66289 8.94056 5.4555 7.44554 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 8.90247 6.56225 6.2479 10.3907 8.88798 7.99195 5.114 9.1374 6.6251 5.98885 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 8.90247 6.56225 6.2479 10.3907 8.88798 7.99195 13.526 15.0228 10.09 9.09537 numMergedOcc 0
35 mol 181 unq 2 iso 0 dist 6.58792 6.56225 6.22122 8.90247 6.01247 6.2479 5.114 9.94371 6.6251 9.1374 numMergedOcc 0
36 mol 181 unq 3 iso 0 dist 6.58792 6.56225 6.22122 8.90247 6.01247 6.2479 14.0828 10.9639 7.81713 8.03334 numMergedOcc 0
37 mol 181 unq 4 iso 0 dist 6.58792 6.56225 6.22122 10.3907 12.6324 7.99195 5.114 9.94371 6.6251 5.98885 numMergedOcc 0
38 mol 181 unq 5 iso 0 dist 6.58792 6.56225 6.22122 10.3907 12.6324 7.99195 13.526 16.2058 10.09 9.09537 numMergedOcc 0
39 mol 231 unq 0 iso 0 dist 8.91036 9.83598 6.98875 12.2364 4.06055 6.54852 10.613 7.37839 6.37275 8.40182 numMergedOcc 0
40 mol 232 unq 0 iso 0 dist 8.89211 7.46856 8.50102 13.0468 6.56633 9.40808 12.2002 10.5803 4.9377 8.27212 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 5.67917 5.11183 7.57812 12.6253 10.0191 9.24557 17.4928 13.5431 14.7883 5.72887 numMergedOcc 0
42 mol 278 unq 0 iso 0 dist 7.58272 4.36832 6.62841 8.83775 8.29447 8.00673 4.66992 10.6095 4.97614 8.44326 numMergedOcc 0
