0 mol 68 unq 0 iso 0 dist 5.73908 13.4703 9.7754 10.6719 8.52421 4.05832 7.27578 5.26566 6.60361 3.73169 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 5.73908 13.4703 9.7754 10.6719 8.52421 4.05832 5.66182 6.27118 9.64558 7.15831 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.09675 14.4838 9.89021 10.2047 7.69222 15.8457 11.1342 9.85386 6.28792 13.815 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.09675 14.4838 9.89021 10.2047 7.69222 15.8457 8.22845 4.8983 10.8482 11.9118 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 8.09675 14.4838 9.89021 10.8441 5.82056 14.3818 11.1342 9.85386 6.28792 13.7005 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 8.09675 14.4838 9.89021 10.8441 5.82056 14.3818 8.22845 4.8983 10.8482 10.0644 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 8.09675 14.4838 9.89021 15.2203 9.09115 16.9684 11.1342 9.85386 6.28792 17.9011 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 8.09675 14.4838 9.89021 15.2203 9.09115 16.9684 8.22845 4.8983 10.8482 12.1501 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 9.02753 12.3838 9.89021 14.0199 7.69222 15.8457 10.0544 9.85386 6.28792 13.815 numMergedOcc 0
9 mol 73 unq 7 iso 0 dist 9.02753 12.3838 9.89021 14.0199 7.69222 15.8457 6.96897 4.8983 10.8482 11.9118 numMergedOcc 0
10 mol 73 unq 8 iso 0 dist 9.02753 12.3838 9.89021 13.7625 5.82056 14.3818 10.0544 9.85386 6.28792 13.7005 numMergedOcc 0
11 mol 73 unq 9 iso 0 dist 9.02753 12.3838 9.89021 13.7625 5.82056 14.3818 6.96897 4.8983 10.8482 10.0644 numMergedOcc 0
12 mol 73 unq 10 iso 0 dist 9.02753 12.3838 9.89021 17.5374 9.09115 16.9684 10.0544 9.85386 6.28792 17.9011 numMergedOcc 0
13 mol 73 unq 11 iso 0 dist 9.02753 12.3838 9.89021 17.5374 9.09115 16.9684 6.96897 4.8983 10.8482 12.1501 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 5.83898 9.40372 9.08672 10.2261 9.77333 7.31335 3.85596 5.97886 11.0596 9.18271 numMergedOcc 0
15 mol 217 unq 0 iso 0 dist 8.72578 6.20364 5.10683 3.59923 6.58871 4.64118 8.03625 7.94351 5.62746 8.82823 numMergedOcc 0
16 mol 219 unq 0 iso 0 dist 7.26376 5.0241 8.09769 8.72864 8.3704 11.3569 5.23281 8.58891 10.0702 6.69913 numMergedOcc 0
17 mol 219 unq 1 iso 0 dist 7.26376 4.36122 7.24832 8.72864 8.3704 4.78402 5.23281 8.58891 5.0824 6.69913 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 9.46746 9.05496 8.55181 9.21014 9.81589 10.9591 3.78294 9.48672 8.59771 5.80505 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 7.31698 6.46484 8.55181 4.58093 9.81589 10.9591 5.23608 9.48672 8.59771 5.80505 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 7.38085 5.26991 8.82094 3.7218 5.38409 5.12237 3.64298 9.87477 4.95884 6.69425 numMergedOcc 0
21 mol 273 unq 0 iso 0 dist 9.80002 10.5063 6.54753 10.6534 8.66133 4.24707 14.1095 8.13393 5.07045 9.06868 numMergedOcc 0
22 mol 273 unq 1 iso 0 dist 9.80002 10.5063 6.54753 15.8245 6.95569 12.634 14.1095 8.13393 5.07045 11.8515 numMergedOcc 0
23 mol 273 unq 2 iso 0 dist 6.73794 5.75973 6.54753 3.80794 8.66133 4.24707 10.5232 8.13393 5.07045 9.06868 numMergedOcc 0
24 mol 273 unq 3 iso 0 dist 6.73794 5.75973 6.54753 13.255 6.95569 12.634 10.5232 8.13393 5.07045 11.8515 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 6.70414 14.2115 9.84188 12.2421 9.91103 19.0436 7.31817 4.1545 13.7583 5.9732 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 6.70414 14.2115 9.84188 12.2421 9.91103 19.0436 3.91224 4.25172 13.6433 8.61922 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 6.70414 14.2115 9.84188 10.9521 7.0603 15.7645 7.31817 4.1545 13.7583 3.79766 numMergedOcc 0
28 mol 277 unq 3 iso 0 dist 6.70414 14.2115 9.84188 10.9521 7.0603 15.7645 3.91224 4.25172 13.6433 7.07613 numMergedOcc 0
29 mol 277 unq 4 iso 0 dist 6.70414 10.8075 8.35794 12.2421 9.91103 17.6038 7.31817 4.1545 11.8607 5.9732 numMergedOcc 0
30 mol 277 unq 5 iso 0 dist 6.70414 10.8075 8.35794 12.2421 9.91103 17.6038 3.91224 4.25172 10.9137 8.61922 numMergedOcc 0
31 mol 277 unq 6 iso 0 dist 6.70414 10.8075 8.35794 10.9521 7.0603 14.772 7.31817 4.1545 11.8607 3.79766 numMergedOcc 0
32 mol 277 unq 7 iso 0 dist 6.70414 10.8075 8.35794 10.9521 7.0603 14.772 3.91224 4.25172 10.9137 7.07613 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 7.47179 11.3154 7.13655 9.23896 6.06665 4.79186 5.42266 8.73403 8.77521 8.63376 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 7.47179 11.3154 7.13655 9.23896 6.06665 4.79186 5.42266 8.73403 8.77521 8.63376 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 7.47179 11.3154 7.13655 9.23896 6.06665 4.79186 5.42266 8.73403 8.77521 8.63376 numMergedOcc 0
