0 mol 21 unq 0 iso 0 dist 7.30688 6.70786 9.53569 8.60952 7.05407 14.1789 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 7.30688 8.16395 8.08824 8.60952 7.05407 14.0991 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 8.26334 9.64034 16.785 5.3571 5.09702 14.8532 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 6.34748 8.25594 11.1062 9.17127 7.53964 15.5933 numMergedOcc 0
4 mol 56 unq 1 iso 0 dist 6.34748 8.25594 11.1062 9.46601 5.76961 14.2862 numMergedOcc 0
5 mol 56 unq 2 iso 0 dist 8.25594 6.34748 11.1062 12.0466 8.77529 13.0348 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.82056 7.69222 3.32668 5.75925 8.46627 10.7236 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 5.82056 9.09115 5.30471 5.75925 8.46627 9.22208 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 9.09115 7.69222 8.07648 5.75925 9.22208 10.7236 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 9.09115 5.82056 5.30471 5.75925 9.22208 8.46627 numMergedOcc 0
10 mol 107 unq 0 iso 0 dist 9.68222 8.28321 10.7388 13.076 6.11492 13.9346 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 7.15213 8.86516 3.69499 5.23445 7.5573 9.58633 numMergedOcc 0
12 mol 130 unq 1 iso 0 dist 8.86516 7.15213 3.69499 5.23445 9.58633 7.5573 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 8.44407 6.0155 5.97842 5.77142 8.25329 4.85332 numMergedOcc 0
14 mol 214 unq 1 iso 0 dist 8.44407 8.89981 16.136 5.77142 8.25329 13.526 numMergedOcc 0
15 mol 214 unq 2 iso 0 dist 6.0155 8.44407 5.97842 5.77142 4.85332 8.25329 numMergedOcc 0
16 mol 214 unq 3 iso 0 dist 6.0155 8.89981 12.6404 5.77142 4.85332 13.526 numMergedOcc 0
17 mol 214 unq 4 iso 0 dist 8.89981 8.44407 16.136 11.2245 9.43017 17.6434 numMergedOcc 0
18 mol 214 unq 5 iso 0 dist 8.89981 6.0155 12.6404 11.2245 9.43017 16.9534 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 7.50697 8.94981 13.7858 10.685 6.46405 12.7232 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 7.50697 5.90986 11.2712 10.685 6.46405 13.9849 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.67281 6.5311 13.167 5.36582 4.66186 9.92058 numMergedOcc 0
22 mol 251 unq 0 iso 0 dist 6.17824 5.62261 3.63976 12.3351 9.02417 12.5936 numMergedOcc 0
23 mol 272 unq 0 iso 0 dist 8.45524 9.79769 5.18071 5.72387 8.55539 12.2653 numMergedOcc 0
24 mol 272 unq 1 iso 0 dist 8.45524 9.66055 9.5745 5.72387 8.55539 11.7203 numMergedOcc 0
25 mol 273 unq 0 iso 0 dist 6.95569 8.66133 15.0189 9.73521 9.02537 13.0213 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.91103 7.0603 3.39114 6.65084 7.16209 4.62936 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 7.0603 9.91103 3.39114 6.65084 4.62936 7.16209 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 6.78424 7.32002 3.52904 5.1002 8.1635 6.22943 numMergedOcc 0
29 mol 292 unq 1 iso 0 dist 7.32002 6.78424 3.52904 5.1002 6.22943 8.1635 numMergedOcc 0
30 mol 292 unq 2 iso 0 dist 7.32002 6.78424 3.52904 7.99979 9.31056 10.8907 numMergedOcc 0
31 mol 292 unq 3 iso 0 dist 9.24101 9.53621 5.09813 6.03488 7.89938 11.1485 numMergedOcc 0
