0 mol 18 unq 0 iso 0 dist 8.44727 4.86477 9.46349 6.91413 6.92705 9.30649 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.6834 4.30555 7.7447 6.44893 9.57743 9.65174 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 6.17708 7.03098 9.17793 10.1263 6.3982 8.55553 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.94712 5.15508 9.41463 6.22124 10.0644 5.85153 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 7.21134 16.036 9.08745 13.7389 7.8851 7.40437 numMergedOcc 0
5 mol 69 unq 1 iso 0 dist 7.40698 11.2122 9.08745 13.7951 7.8851 7.40437 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 8.63204 5.00416 7.99194 4.67358 9.34622 7.34145 numMergedOcc 0
7 mol 70 unq 1 iso 0 dist 9.19079 4.00828 7.99194 9.29779 9.34622 7.34145 numMergedOcc 0
8 mol 70 unq 2 iso 0 dist 5.4014 5.00416 7.80313 4.67358 5.89735 7.34145 numMergedOcc 0
9 mol 70 unq 3 iso 0 dist 8.37742 4.00828 7.80313 9.29779 5.89735 7.34145 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 7.49235 3.83191 8.28591 9.84042 4.97727 9.30843 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 7.49235 3.83191 8.28591 9.24872 13.8087 6.25522 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 7.49235 3.77555 9.40687 9.24872 13.8087 7.87145 numMergedOcc 0
13 mol 93 unq 3 iso 0 dist 7.19431 3.83191 5.35008 9.84042 5.77343 9.30843 numMergedOcc 0
14 mol 93 unq 4 iso 0 dist 7.19431 3.83191 5.35008 9.24872 9.96831 6.25522 numMergedOcc 0
15 mol 93 unq 5 iso 0 dist 7.19431 3.77555 8.84576 9.24872 9.96831 7.87145 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 5.32773 3.71942 4.30875 11.3222 7.48733 8.28325 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 8.7231 8.67179 8.49847 8.51895 4.24991 4.48699 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 9.4275 14.7423 8.60651 18.8349 10.6183 5.42715 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 9.4275 14.7423 8.60651 13.8395 4.71678 7.34557 numMergedOcc 0
20 mol 169 unq 0 iso 0 dist 5.30818 3.61063 4.11374 11.2958 7.59743 8.21203 numMergedOcc 0
21 mol 169 unq 1 iso 0 dist 8.89822 12.9917 4.11374 12.506 7.59743 8.21203 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.00537 14.3824 7.36794 17.1537 12.0756 9.12783 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 8.9388 6.7472 7.36794 10.4646 12.0756 9.12783 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 6.28826 12.7192 8.49349 12.4566 6.28124 6.20118 numMergedOcc 0
25 mol 226 unq 0 iso 0 dist 8.34875 4.94939 9.07313 11.247 11.1698 8.19578 numMergedOcc 0
26 mol 252 unq 0 iso 0 dist 7.95045 14.1621 9.81261 10.988 4.34126 8.38453 numMergedOcc 0
27 mol 260 unq 0 iso 0 dist 6.19564 9.96926 7.49606 18.2762 14.1637 9.25019 numMergedOcc 0
28 mol 260 unq 1 iso 0 dist 6.19564 9.96926 7.49606 10.072 5.38958 4.64695 numMergedOcc 0
