0 mol 10 unq 0 iso 0 dist 9.31452 12.1865 9.90359 3.5691 8.98746 12.7162 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 7.21183 8.04858 9.64891 3.69246 7.30932 4.71687 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.62527 13.7069 7.85234 3.30063 8.36742 14.7888 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.62527 13.7069 7.85234 8.44515 8.10028 12.7914 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 7.43758 8.41493 9.6147 5.35996 5.75809 9.25982 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 6.96066 8.99207 9.24032 5.73969 4.5892 5.2335 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 7.88704 4.07807 6.07337 3.71967 9.98298 5.69217 numMergedOcc 0
7 mol 83 unq 1 iso 0 dist 7.88704 4.07807 6.07337 6.15397 7.55036 5.29439 numMergedOcc 0
8 mol 83 unq 2 iso 0 dist 7.88704 4.07807 6.07337 13.8225 8.32248 10.3919 numMergedOcc 0
9 mol 83 unq 3 iso 0 dist 6.55352 5.56847 6.07337 8.67453 9.98298 5.69217 numMergedOcc 0
10 mol 83 unq 4 iso 0 dist 6.55352 5.56847 6.07337 4.7741 7.55036 5.29439 numMergedOcc 0
11 mol 83 unq 5 iso 0 dist 6.55352 5.56847 6.07337 5.61725 8.32248 10.3919 numMergedOcc 0
12 mol 83 unq 6 iso 0 dist 9.05437 12.4274 6.07337 16.9252 9.98298 5.69217 numMergedOcc 0
13 mol 83 unq 7 iso 0 dist 9.05437 12.4274 6.07337 12.9907 7.55036 5.29439 numMergedOcc 0
14 mol 83 unq 8 iso 0 dist 9.05437 12.4274 6.07337 3.91658 8.32248 10.3919 numMergedOcc 0
15 mol 83 unq 9 iso 0 dist 9.00625 11.1783 6.07337 16.7395 9.98298 5.69217 numMergedOcc 0
16 mol 83 unq 10 iso 0 dist 9.00625 11.1783 6.07337 14.1991 7.55036 5.29439 numMergedOcc 0
17 mol 83 unq 11 iso 0 dist 9.00625 11.1783 6.07337 8.33755 8.32248 10.3919 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 8.04448 3.92844 8.70888 9.39313 5.24616 10.4429 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 8.18252 7.87523 9.60416 3.8493 5.85622 8.67903 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 7.55531 8.37963 9.60416 3.78499 5.85622 8.67903 numMergedOcc 0
21 mol 151 unq 0 iso 0 dist 9.39452 10.4263 7.28665 8.95545 8.16646 13.6706 numMergedOcc 0
22 mol 257 unq 0 iso 0 dist 9.27027 5.76954 8.14632 11.7751 8.81508 8.52912 numMergedOcc 0
23 mol 257 unq 1 iso 0 dist 7.87058 5.03884 8.14632 8.91326 8.81508 8.52912 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 9.80725 6.20003 8.30744 4.21541 9.31843 3.87041 numMergedOcc 0
25 mol 278 unq 0 iso 0 dist 9.66477 10.046 9.67619 7.67795 5.35362 8.48896 numMergedOcc 0
26 mol 278 unq 1 iso 0 dist 9.66477 10.046 9.67619 8.44569 8.22364 4.35961 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 7.67032 4.49604 7.84195 9.78358 5.16266 7.93548 numMergedOcc 0
