0 mol 7 unq 0 iso 0 dist 7.32392 10.4879 9.85726 10.5949 6.7985 5.25379 10.1204 9.0379 12.9476 9.68596 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 6.4754 6.06114 7.45487 5.3298 7.18019 7.07501 10.2567 10.9495 13.9525 7.03958 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.4754 6.06114 7.45487 5.3298 7.18019 7.07501 11.9453 8.4069 9.49106 8.53529 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 6.4754 6.06114 7.45487 5.3298 7.18019 7.07501 7.3795 6.23795 11.9557 8.44009 numMergedOcc 0
4 mol 8 unq 3 iso 0 dist 6.57999 5.24855 7.45487 7.97177 7.18019 7.07501 13.8619 10.9495 13.9525 7.03958 numMergedOcc 0
5 mol 8 unq 4 iso 0 dist 6.57999 5.24855 7.45487 7.97177 7.18019 7.07501 4.92734 8.4069 9.49106 8.53529 numMergedOcc 0
6 mol 8 unq 5 iso 0 dist 6.57999 5.24855 7.45487 7.97177 7.18019 7.07501 12.3088 6.23795 11.9557 8.44009 numMergedOcc 0
7 mol 16 unq 0 iso 0 dist 8.59049 10.2869 8.47315 5.11248 6.72833 12.1062 8.82587 10.4852 16.8248 6.93532 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 8.20058 17.1139 9.90845 13.4836 8.60554 14.9821 15.5985 14.6259 22.8598 8.4051 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 8.20058 17.1139 9.90845 13.4836 8.60554 14.9821 17.2959 10.0952 10.6042 7.29868 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 8.20058 17.1139 9.90845 9.04355 9.44691 18.8056 15.5985 14.6259 22.8598 8.75662 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.85841 6.14241 9.59261 4.81103 5.78706 5.24592 11.1652 7.51619 11.7102 7.23884 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 5.85841 6.14241 9.59261 4.81103 5.78706 5.24592 7.00285 10.6225 6.67936 5.59328 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 5.85841 6.14241 9.59261 4.81103 5.78706 5.24592 11.8527 12.7411 8.25817 7.5242 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 6.78839 10.8152 9.59261 7.22196 5.78706 5.24592 11.1321 7.51619 11.7102 7.23884 numMergedOcc 0
15 mol 98 unq 4 iso 0 dist 6.78839 10.8152 9.59261 7.22196 5.78706 5.24592 8.02354 10.6225 6.67936 5.59328 numMergedOcc 0
16 mol 98 unq 5 iso 0 dist 6.78839 10.8152 9.59261 7.22196 5.78706 5.24592 13.7128 12.7411 8.25817 7.5242 numMergedOcc 0
17 mol 98 unq 6 iso 0 dist 7.00285 6.14241 6.67936 4.81103 5.59328 5.24592 5.85841 10.6225 9.59261 5.78706 numMergedOcc 0
18 mol 98 unq 7 iso 0 dist 7.00285 6.14241 6.67936 4.81103 5.59328 5.24592 11.1652 11.4338 11.7102 7.23884 numMergedOcc 0
19 mol 98 unq 8 iso 0 dist 7.00285 6.14241 6.67936 4.81103 5.59328 5.24592 11.8527 7.72877 8.25817 7.5242 numMergedOcc 0
20 mol 98 unq 9 iso 0 dist 8.02354 10.8152 6.67936 7.22196 5.59328 5.24592 6.78839 10.6225 9.59261 5.78706 numMergedOcc 0
21 mol 98 unq 10 iso 0 dist 8.02354 10.8152 6.67936 7.22196 5.59328 5.24592 11.1321 11.4338 11.7102 7.23884 numMergedOcc 0
22 mol 98 unq 11 iso 0 dist 8.02354 10.8152 6.67936 7.22196 5.59328 5.24592 13.7128 7.72877 8.25817 7.5242 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 8.62648 10.604 9.42766 9.25614 6.52773 13.1831 11.5266 4.85907 13.6653 9.11344 numMergedOcc 0
24 mol 125 unq 0 iso 0 dist 6.03557 7.09758 8.84867 6.46489 7.73435 11.7281 10.231 5.20403 13.8831 8.76789 numMergedOcc 0
25 mol 125 unq 1 iso 0 dist 6.03557 7.09758 8.84867 8.27647 9.3778 14.8614 10.231 5.20403 13.8831 9.08382 numMergedOcc 0
26 mol 125 unq 2 iso 0 dist 6.03557 7.09758 8.84867 8.27647 9.3778 14.8614 13.084 11.8325 19.5018 7.47069 numMergedOcc 0
27 mol 213 unq 0 iso 0 dist 9.75141 8.82924 4.58599 10.9044 8.14332 11.5146 13.93 5.45334 9.94786 7.73322 numMergedOcc 0
28 mol 213 unq 1 iso 0 dist 9.75141 5.37137 8.78568 10.9044 8.14332 10.693 13.93 5.45334 13.5801 7.73322 numMergedOcc 0
29 mol 231 unq 0 iso 0 dist 8.91036 14.3729 7.79865 9.83598 6.98875 7.00432 12.2364 4.06055 6.14348 6.54852 numMergedOcc 0
30 mol 278 unq 0 iso 0 dist 8.83775 14.331 9.82774 4.36832 8.00673 11.9007 7.58272 8.29447 15.9748 6.62841 numMergedOcc 0
