0 mol 28 unq 0 iso 0 dist 9.26105 9.85137 9.07545 6.49346 7.07502 4.15828 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.85244 9.01955 8.69209 6.93351 6.97741 3.83015 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 7.63894 8.43244 7.54496 14.3504 9.08732 9.67572 numMergedOcc 0
3 mol 90 unq 1 iso 0 dist 6.17315 12.4268 7.54496 13.8307 9.08732 9.67572 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 7.46327 4.55399 7.85041 13.113 6.46217 11.5028 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 5.61533 9.19878 7.92876 3.83194 4.72339 6.10261 numMergedOcc 0
6 mol 111 unq 1 iso 0 dist 5.61533 9.19878 7.92876 8.57867 6.48902 4.42903 numMergedOcc 0
7 mol 111 unq 2 iso 0 dist 5.61533 9.19878 7.92876 5.56913 7.21505 13.0195 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 9.60646 12.0852 5.1101 9.43694 7.19893 7.97454 numMergedOcc 0
9 mol 147 unq 1 iso 0 dist 9.60646 12.0852 5.1101 12.442 6.37938 3.547 numMergedOcc 0
10 mol 147 unq 2 iso 0 dist 9.60646 14.0758 7.01133 9.43694 7.19893 13.3536 numMergedOcc 0
11 mol 147 unq 3 iso 0 dist 9.60646 14.0758 7.01133 12.442 6.37938 9.88741 numMergedOcc 0
12 mol 151 unq 0 iso 0 dist 8.14552 4.96324 5.63814 7.44732 9.06016 4.26123 numMergedOcc 0
13 mol 151 unq 1 iso 0 dist 6.01918 8.48544 5.63814 12.6611 9.06016 4.26123 numMergedOcc 0
14 mol 163 unq 0 iso 0 dist 9.07256 12.2445 8.21476 5.6495 7.69757 11.6682 numMergedOcc 0
15 mol 163 unq 1 iso 0 dist 9.07256 5.48417 7.66897 5.6495 7.69757 7.1982 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 6.78113 9.50216 8.89822 7.7167 8.62437 15.2041 numMergedOcc 0
17 mol 182 unq 1 iso 0 dist 6.78113 9.50216 8.89822 5.91263 7.07405 9.61248 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 6.98756 7.28957 7.37935 4.00981 7.79105 10.4239 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 7.84953 10.2089 6.86795 13.0752 8.98941 4.24855 numMergedOcc 0
20 mol 218 unq 1 iso 0 dist 7.84953 10.2089 6.86795 6.43551 6.45381 5.31276 numMergedOcc 0
21 mol 218 unq 2 iso 0 dist 7.84953 4.40481 6.61099 13.0752 8.98941 10.7049 numMergedOcc 0
22 mol 218 unq 3 iso 0 dist 7.84953 4.40481 6.61099 6.43551 6.45381 4.36581 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 9.70241 10.4764 7.25677 15.8835 8.78893 6.50127 numMergedOcc 0
24 mol 282 unq 0 iso 0 dist 8.64036 10.945 9.96468 14.0896 9.9322 14.9487 numMergedOcc 0
25 mol 282 unq 1 iso 0 dist 8.64036 12.1895 9.59817 14.0896 9.9322 17.4495 numMergedOcc 0
