0 mol 8 unq 0 iso 0 dist 9.70374 7.45487 10.1093 5.43751 12.5407 9.62879 9.49106 7.36147 8.4069 8.96553 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.34846 9.90845 6.85527 9.59761 12.0295 8.86116 10.6042 9.1927 10.0952 6.86014 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.85342 9.74445 13.6782 14.445 19.5448 6.20293 13.964 15.9967 5.06502 5.73819 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.85342 9.74445 13.6782 14.445 19.5448 6.20293 15.3221 16.2107 6.45462 8.93915 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 6.00667 9.48243 6.55423 11.6637 13.8341 9.91388 11.0972 10.2681 6.69554 9.52634 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 6.00667 9.48243 6.55423 11.6637 13.8341 9.91388 14.1743 13.1011 6.761 7.24514 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 6.21275 9.74498 12.692 10.7816 13.0805 8.67331 12.7397 14.5814 5.54906 5.87555 numMergedOcc 0
7 mol 152 unq 1 iso 0 dist 6.21275 9.74498 12.692 10.7816 13.0805 8.67331 13.0082 16.8649 6.4896 6.70283 numMergedOcc 0
8 mol 152 unq 2 iso 0 dist 6.21275 9.74498 12.692 7.26476 11.9198 8.05741 12.7397 14.5814 5.54906 8.87437 numMergedOcc 0
9 mol 152 unq 3 iso 0 dist 6.21275 9.74498 12.692 7.26476 11.9198 8.05741 13.0082 16.8649 6.4896 7.16148 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 5.25888 5.08206 4.51101 12.1783 13.3338 9.0018 11.7895 11.1501 7.42466 7.652 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 5.25888 5.08206 4.51101 7.28617 8.84385 5.6234 11.7895 11.1501 7.42466 9.92231 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 8.40945 9.8711 6.29733 4.90657 10.2501 9.23153 12.6756 15.1882 10.5449 8.24498 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 7.81237 9.8711 13.3213 4.90657 5.39218 9.23153 12.6756 11.4842 10.5449 8.24498 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 8.65729 9.75313 6.57808 6.46679 10.2007 6.61986 14.4547 15.1155 9.54151 9.40098 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 9.9137 6.08709 6.57808 7.85135 10.2007 6.61986 13.1222 15.1155 9.54151 9.40098 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 7.32814 9.84492 5.88282 11.9226 12.1268 8.22528 10.7645 10.3429 5.57838 7.03423 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 7.01653 5.89084 4.93623 4.74041 5.46736 6.56247 10.6962 4.82695 6.29886 8.34494 numMergedOcc 0
18 mol 234 unq 1 iso 0 dist 7.01653 5.89084 4.93623 4.74041 5.46736 6.56247 8.47009 11.7817 7.82322 9.36357 numMergedOcc 0
19 mol 234 unq 2 iso 0 dist 7.01653 5.89084 4.93623 6.16697 10.8568 9.45496 8.47009 11.7817 7.82322 6.7625 numMergedOcc 0
20 mol 234 unq 3 iso 0 dist 7.01653 8.47009 11.7817 4.74041 5.46736 9.36357 10.6962 4.82695 12.1694 8.34494 numMergedOcc 0
21 mol 234 unq 4 iso 0 dist 7.01653 8.47009 11.7817 4.74041 5.46736 9.36357 5.89084 4.93623 7.82322 6.56247 numMergedOcc 0
22 mol 234 unq 5 iso 0 dist 7.01653 8.47009 11.7817 6.16697 10.8568 6.7625 5.89084 4.93623 7.82322 9.45496 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 6.66413 7.93997 6.82055 14.8465 12.2264 7.46176 13.8509 13.4516 6.96053 7.88519 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 6.66413 7.93997 6.82055 14.8465 12.2264 7.46176 14.9816 12.4424 7.64658 7.84554 numMergedOcc 0
25 mol 259 unq 2 iso 0 dist 6.66413 7.93997 6.82055 14.8465 12.2264 7.46176 17.3348 12.5652 10.5239 9.18903 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 8.69675 9.62828 6.43209 10.5691 7.30472 8.02547 17.6306 11.6843 10.0727 8.43057 numMergedOcc 0
27 mol 261 unq 1 iso 0 dist 8.69675 9.62828 6.43209 10.5691 7.30472 8.02547 13.3636 7.78464 5.51688 6.05727 numMergedOcc 0
28 mol 264 unq 0 iso 0 dist 8.27284 6.75305 4.41644 10.0289 10.1878 6.24356 16.8589 12.2552 10.3202 9.361 numMergedOcc 0
