0 mol 43 unq 0 iso 0 dist 7.53564 9.17086 10.323 5.90113 9.74445 8.80331 10.615 14.445 8.13395 6.20293 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.10175 6.54183 10.1356 5.65405 5.59773 8.10861 14.4402 13.9079 16.3192 9.5589 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 6.10175 6.54183 10.1356 5.65405 5.59773 8.10861 10.5929 10.4238 14.2075 6.83299 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.84699 8.124 5.2774 13.4367 6.89722 6.19304 10.1112 10.4716 5.4148 9.96396 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.84699 8.124 5.2774 13.4367 6.89722 6.19304 19.5696 13.9156 13.3558 8.70481 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.40844 8.124 5.44275 13.4367 7.26679 6.19304 10.1112 8.31041 5.4148 9.96396 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.40844 8.124 5.44275 13.4367 7.26679 6.19304 19.5696 11.2674 13.3558 8.70481 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 7.02351 8.16299 11.2674 10.3774 7.26679 8.70481 11.0108 8.31041 14.9342 9.96396 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 7.02351 8.16299 11.2674 10.3774 7.26679 8.70481 10.9082 5.44275 13.3558 6.19304 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 5.24519 8.81172 6.29427 5.34484 7.70533 9.84395 11.6152 14.3476 13.1058 7.90328 numMergedOcc 0
10 mol 117 unq 1 iso 0 dist 8.30003 7.0318 10.4589 5.21051 9.85576 7.90328 11.0698 14.2649 7.22206 7.83136 numMergedOcc 0
11 mol 117 unq 2 iso 0 dist 8.30003 7.0318 10.4589 5.21051 9.85576 7.90328 10.5123 9.53886 9.3584 7.0603 numMergedOcc 0
12 mol 142 unq 0 iso 0 dist 9.5355 7.15087 13.1936 8.68855 7.57458 9.2313 10.5719 12.288 5.50998 7.73169 numMergedOcc 0
13 mol 142 unq 1 iso 0 dist 9.5355 7.15087 13.1936 8.68855 7.57458 9.2313 15.3413 14.2067 11.1395 8.96657 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 6.67598 9.19499 5.0966 5.66289 7.30021 7.44554 7.11647 5.75141 5.56175 8.94056 numMergedOcc 0
15 mol 156 unq 1 iso 0 dist 6.67598 9.19499 5.0966 5.66289 7.30021 7.44554 13.581 12.865 8.38403 9.83699 numMergedOcc 0
16 mol 156 unq 2 iso 0 dist 6.67598 7.11647 5.75141 5.66289 7.30021 8.94056 9.19499 5.0966 5.56175 7.44554 numMergedOcc 0
17 mol 156 unq 3 iso 0 dist 6.67598 7.11647 5.75141 5.66289 7.30021 8.94056 13.581 12.865 11.2719 9.83699 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 7.10689 8.7419 8.81265 5.01062 8.7347 6.00706 8.5834 4.28891 6.8425 7.54212 numMergedOcc 0
19 mol 222 unq 1 iso 0 dist 7.10689 8.5834 4.28891 5.01062 8.7347 7.54212 8.7419 8.81265 6.8425 6.00706 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 7.7163 7.07564 5.63485 10.8463 9.79616 6.57273 12.0295 9.36962 5.0744 6.60589 numMergedOcc 0
21 mol 224 unq 1 iso 0 dist 9.2 7.07564 4.8786 5.44863 9.29703 5.78342 12.0295 7.18448 5.0744 9.16166 numMergedOcc 0
22 mol 224 unq 2 iso 0 dist 9.2 7.07564 4.8786 5.44863 9.29703 5.78342 9.11052 6.38066 5.60236 5.81334 numMergedOcc 0
23 mol 224 unq 3 iso 0 dist 9.2 9.11052 6.38066 5.44863 9.29703 5.81334 7.07564 4.8786 5.60236 5.78342 numMergedOcc 0
24 mol 224 unq 4 iso 0 dist 9.2 9.11052 6.38066 5.44863 9.29703 5.81334 12.0295 7.18448 6.91102 9.16166 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 7.99145 7.71761 11.4528 5.841 9.17826 7.55216 14.1483 16.2594 9.51866 9.34734 numMergedOcc 0
26 mol 227 unq 1 iso 0 dist 7.99145 7.71761 11.4528 5.841 9.17826 7.55216 12.9898 14.9329 12.4689 7.22101 numMergedOcc 0
27 mol 227 unq 2 iso 0 dist 7.99145 7.71761 11.4528 5.841 9.17826 7.55216 14.1659 13.2783 12.9332 8.65997 numMergedOcc 0
28 mol 227 unq 3 iso 0 dist 7.99145 7.71761 11.4528 5.841 9.17826 7.55216 9.8971 10.6504 4.48529 7.56888 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 6.59521 8.21585 9.22664 5.13233 8.58088 6.42289 10.7821 10.221 7.26417 6.60405 numMergedOcc 0
