0 mol 5 unq 0 iso 0 dist 8.70824 4.9568 10.7591 11.97 9.17088 16.1486 numMergedOcc 0
1 mol 117 unq 0 iso 0 dist 7.82249 9.30187 5.24084 6.7814 9.32858 7.78789 numMergedOcc 0
2 mol 129 unq 0 iso 0 dist 5.16531 7.04904 4.39633 10.0961 8.59695 12.0878 numMergedOcc 0
3 mol 129 unq 1 iso 0 dist 5.16531 5.06053 4.13875 10.0961 8.59695 12.4085 numMergedOcc 0
4 mol 129 unq 2 iso 0 dist 6.65878 7.84813 6.61102 5.56946 8.00624 7.97548 numMergedOcc 0
5 mol 129 unq 3 iso 0 dist 6.65878 7.84813 6.61102 6.10584 8.42289 7.32151 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 9.56319 8.22722 6.208 14.4095 9.47554 10.3827 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 6.65267 8.22722 3.60683 4.45869 9.19659 11.3333 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 9.73038 8.52036 6.208 5.37072 9.47554 10.3827 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 5.47265 8.76449 10.0388 6.91778 9.88662 6.73617 numMergedOcc 0
10 mol 147 unq 1 iso 0 dist 5.47265 8.36182 9.71714 6.91778 9.88662 9.03544 numMergedOcc 0
11 mol 163 unq 0 iso 0 dist 9.24754 9.37245 5.57089 4.12904 8.32426 8.16252 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 8.39087 8.95296 11.1876 6.32863 9.23645 5.36671 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 5.60956 6.48066 3.60864 6.59758 8.41715 7.48734 numMergedOcc 0
14 mol 168 unq 1 iso 0 dist 5.60956 6.48066 3.60864 5.81821 7.79893 5.6125 numMergedOcc 0
15 mol 185 unq 0 iso 0 dist 5.7065 9.1549 9.70184 12.0971 8.8978 18.5064 numMergedOcc 0
16 mol 185 unq 1 iso 0 dist 5.7065 9.1549 9.70184 4.53126 5.03193 12.7697 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 9.44038 8.87165 7.85193 13.5482 7.51951 13.4668 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 9.85777 8.93485 10.5366 4.2475 6.94789 9.31158 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 5.05912 8.93485 9.27501 4.2475 6.23932 9.31158 numMergedOcc 0
20 mol 205 unq 3 iso 0 dist 6.60429 5.66636 9.27501 6.8901 6.23932 9.31158 numMergedOcc 0
21 mol 210 unq 0 iso 0 dist 5.70065 9.49242 5.81094 3.84723 6.13878 11.1783 numMergedOcc 0
22 mol 210 unq 1 iso 0 dist 5.70065 9.25184 6.59517 3.84723 6.13878 6.85824 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 6.94194 8.69334 10.4402 4.71394 6.43046 11.9009 numMergedOcc 0
24 mol 265 unq 0 iso 0 dist 9.94957 5.8898 13.1075 10.4948 6.45326 15.7058 numMergedOcc 0
