0 mol 20 unq 0 iso 0 dist 9.0017 6.22202 8.26091 10.1796 5.45273 7.5517 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.18124 7.19357 8.25818 4.87192 4.21283 9.65174 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.10168 13.7061 8.25818 11.0982 4.21283 9.65174 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 7.49391 4.23443 9.74532 7.37857 6.5312 6.31089 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 7.49391 4.23443 9.74532 4.7978 4.45307 7.07502 numMergedOcc 0
5 mol 28 unq 2 iso 0 dist 7.49391 4.23443 9.74532 10.3937 9.96416 8.48468 numMergedOcc 0
6 mol 28 unq 3 iso 0 dist 8.47637 11.0902 7.08766 9.31099 5.7604 5.47728 numMergedOcc 0
7 mol 28 unq 4 iso 0 dist 8.47637 8.59089 4.82199 9.31099 5.7604 5.39651 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 7.90364 5.54746 5.54472 5.01135 5.15398 6.84514 numMergedOcc 0
9 mol 48 unq 1 iso 0 dist 7.78518 5.76412 5.37439 5.20384 5.15603 7.05619 numMergedOcc 0
10 mol 63 unq 0 iso 0 dist 9.58748 5.59559 8.14512 11.3299 3.4677 8.18666 numMergedOcc 0
11 mol 63 unq 1 iso 0 dist 9.58748 5.59559 8.14512 9.80122 8.45456 4.92457 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 6.48394 3.93249 6.79423 8.31442 3.76156 6.62879 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 7.67463 7.59896 4.18248 6.00564 4.06365 5.72961 numMergedOcc 0
14 mol 111 unq 0 iso 0 dist 6.34004 5.39108 4.91212 6.63857 4.26808 4.72339 numMergedOcc 0
15 mol 111 unq 1 iso 0 dist 6.34004 13.201 9.34782 6.63857 4.26808 7.21505 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 9.8911 4.86495 7.53342 8.34503 4.9293 4.48699 numMergedOcc 0
17 mol 131 unq 1 iso 0 dist 7.02043 3.38209 7.53342 5.70499 4.9293 4.48699 numMergedOcc 0
18 mol 230 unq 0 iso 0 dist 8.89873 3.28958 9.47092 7.81987 8.20635 6.31092 numMergedOcc 0
19 mol 230 unq 1 iso 0 dist 8.46558 9.06529 9.47092 12.8625 8.20635 6.31092 numMergedOcc 0
20 mol 250 unq 0 iso 0 dist 8.50251 8.03648 9.81716 14.4536 10.18 8.62514 numMergedOcc 0
21 mol 268 unq 0 iso 0 dist 6.38058 6.58875 9.52476 12.7634 10.4652 9.17515 numMergedOcc 0
22 mol 268 unq 1 iso 0 dist 9.5334 9.70591 9.52476 16.5421 10.4652 9.17515 numMergedOcc 0
