0 mol 20 unq 0 iso 0 dist 8.81141 9.74724 12.674 12.4229 16.5979 7.47395 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 4.87192 7.18124 4.21283 7.19357 9.65174 8.25818 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 7.37857 7.49391 6.5312 4.23443 6.31089 9.74532 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 4.7978 7.49391 4.45307 4.23443 7.07502 9.74532 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 8.08195 8.47637 14.4182 13.6544 20.767 8.53424 numMergedOcc 0
5 mol 28 unq 3 iso 0 dist 8.08195 8.47637 14.4182 11.0902 17.6333 7.08766 numMergedOcc 0
6 mol 28 unq 4 iso 0 dist 8.08195 8.47637 14.4182 8.59089 15.6673 4.82199 numMergedOcc 0
7 mol 28 unq 5 iso 0 dist 5.78587 8.47637 9.25982 13.6544 14.9405 8.53424 numMergedOcc 0
8 mol 28 unq 6 iso 0 dist 5.78587 8.47637 9.25982 11.0902 11.5939 7.08766 numMergedOcc 0
9 mol 28 unq 7 iso 0 dist 5.78587 8.47637 9.25982 8.59089 10.095 4.82199 numMergedOcc 0
10 mol 48 unq 0 iso 0 dist 5.01135 7.90364 5.15398 5.54746 6.84514 5.54472 numMergedOcc 0
11 mol 48 unq 1 iso 0 dist 5.20384 7.78518 5.15603 5.76412 7.05619 5.37439 numMergedOcc 0
12 mol 68 unq 0 iso 0 dist 5.44028 8.32093 13.0221 5.29172 10.4266 7.7485 numMergedOcc 0
13 mol 72 unq 0 iso 0 dist 8.31442 6.48394 3.76156 3.93249 6.62879 6.79423 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 6.00564 7.67463 4.06365 7.59896 5.72961 4.18248 numMergedOcc 0
15 mol 111 unq 0 iso 0 dist 6.98727 7.24101 3.75797 12.2767 12.3768 9.34782 numMergedOcc 0
16 mol 111 unq 1 iso 0 dist 6.63857 6.34004 4.26808 5.39108 4.72339 4.91212 numMergedOcc 0
17 mol 111 unq 2 iso 0 dist 6.63857 6.34004 4.26808 13.201 7.21505 9.34782 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 8.97819 8.46167 14.091 4.62493 11.5362 5.31126 numMergedOcc 0
19 mol 113 unq 1 iso 0 dist 8.97819 8.46167 14.091 6.47997 13.0361 7.16619 numMergedOcc 0
20 mol 113 unq 2 iso 0 dist 8.97819 6.13175 14.6197 4.62493 11.5362 4.49669 numMergedOcc 0
21 mol 113 unq 3 iso 0 dist 8.97819 6.13175 14.6197 6.47997 13.0361 5.88896 numMergedOcc 0
22 mol 113 unq 4 iso 0 dist 8.97819 4.34107 12.8965 4.62493 11.5362 6.00221 numMergedOcc 0
23 mol 131 unq 0 iso 0 dist 8.34503 9.8911 4.9293 4.86495 4.48699 7.53342 numMergedOcc 0
24 mol 131 unq 1 iso 0 dist 5.70499 7.02043 4.9293 3.38209 4.48699 7.53342 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 8.88404 8.56285 14.1697 11.8161 18.6201 4.88514 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 7.39369 8.93352 10.0237 13.336 12.7017 4.68722 numMergedOcc 0
27 mol 194 unq 1 iso 0 dist 7.39369 8.93352 10.0237 11.2435 12.8499 5.18325 numMergedOcc 0
28 mol 230 unq 0 iso 0 dist 7.81987 8.89873 8.20635 3.28958 6.31092 9.47092 numMergedOcc 0
