0 mol 21 unq 0 iso 0 dist 7.48808 6.51419 5.68808 7.37842 9.93488 9.63221 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 7.48808 6.51419 5.68808 5.24786 7.88429 10.2405 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.36524 6.20159 13.7039 9.05146 8.16494 12.713 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 5.36895 9.78508 6.68779 9.95794 7.07587 10.0906 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 6.84521 9.92963 15.4121 5.00932 8.99509 12.1953 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 6.84521 8.07389 8.42544 5.00932 8.99509 4.44406 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 8.90024 9.92963 18.4575 5.00932 8.47617 12.1953 numMergedOcc 0
7 mol 43 unq 3 iso 0 dist 8.90024 8.07389 6.09486 5.00932 8.47617 4.44406 numMergedOcc 0
8 mol 43 unq 4 iso 0 dist 6.78532 9.92963 13.9259 5.00932 5.73331 12.1953 numMergedOcc 0
9 mol 43 unq 5 iso 0 dist 6.78532 8.07389 4.40385 5.00932 5.73331 4.44406 numMergedOcc 0
10 mol 89 unq 0 iso 0 dist 8.85873 7.00136 4.30591 5.19804 5.25504 6.2836 numMergedOcc 0
11 mol 89 unq 1 iso 0 dist 7.3606 7.00136 5.1661 5.19804 7.84991 6.2836 numMergedOcc 0
12 mol 111 unq 0 iso 0 dist 6.34542 9.76075 6.3561 10.1386 7.42431 10.8985 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 5.06555 6.21509 4.98499 7.08572 8.20009 6.05523 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 5.06555 6.21509 4.98499 9.04066 8.14799 7.81657 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 6.0639 9.02321 5.04574 5.18812 9.71735 12.6259 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 6.91355 9.02321 11.8536 5.18812 9.04898 12.6259 numMergedOcc 0
17 mol 197 unq 0 iso 0 dist 7.70631 6.18166 4.91336 10.0858 9.14737 7.36576 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 9.2067 9.95473 8.40328 10.9933 5.31858 13.4513 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 9.16078 9.95473 10.2114 10.9933 5.71851 13.4513 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 9.80409 9.00616 15.4874 14.5584 9.45818 17.0902 numMergedOcc 0
21 mol 261 unq 1 iso 0 dist 9.80409 6.35699 13.3429 14.5584 9.45818 17.1473 numMergedOcc 0
22 mol 280 unq 0 iso 0 dist 6.52188 8.89904 9.89602 9.78637 7.1704 16.598 numMergedOcc 0
23 mol 280 unq 1 iso 0 dist 6.52188 8.89904 9.89602 4.78798 5.59626 11.817 numMergedOcc 0
