0 mol 48 unq 0 iso 0 dist 9.05694 8.28032 5.54472 11.8357 3.86264 8.62369 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 9.05694 8.28032 5.54472 13.1234 8.66712 6.5241 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 8.69081 8.60738 5.37439 11.2599 3.69391 8.3714 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 8.69081 8.60738 5.37439 13.3139 8.61401 6.36817 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 9.07614 10.9354 8.14512 15.7108 13.0286 9.13228 numMergedOcc 0
5 mol 63 unq 1 iso 0 dist 9.21258 10.749 8.14512 17.7036 13.0286 9.13228 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 7.88522 11.5102 7.61085 9.78734 5.72008 6.96722 numMergedOcc 0
7 mol 83 unq 1 iso 0 dist 9.55089 4.27327 6.96722 7.22942 5.72008 7.61085 numMergedOcc 0
8 mol 83 unq 2 iso 0 dist 7.22942 4.27327 7.61085 9.55089 5.72008 6.96722 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 7.37377 4.98735 5.20429 12.792 9.47916 8.71366 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 8.48433 4.58626 4.91212 9.30841 8.72808 9.34782 numMergedOcc 0
11 mol 111 unq 1 iso 0 dist 7.36025 4.21801 4.91212 9.60251 6.13173 9.74162 numMergedOcc 0
12 mol 111 unq 2 iso 0 dist 9.60251 4.21801 9.74162 7.36025 6.13173 4.91212 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 6.7279 4.41312 4.87942 10.8625 6.13455 7.25595 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 5.06194 6.35206 7.25595 14.3749 12.8007 9.94825 numMergedOcc 0
15 mol 193 unq 0 iso 0 dist 6.63784 3.41036 8.30069 9.00934 4.75086 8.83551 numMergedOcc 0
16 mol 193 unq 1 iso 0 dist 9.00934 3.41036 8.83551 6.63784 4.75086 8.30069 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 9.60788 13.5754 4.68722 11.9307 3.78714 5.10542 numMergedOcc 0
18 mol 254 unq 0 iso 0 dist 5.39865 9.02593 7.85841 5.0346 3.15539 9.20109 numMergedOcc 0
19 mol 254 unq 1 iso 0 dist 5.0346 9.02593 9.20109 5.39865 3.15539 7.85841 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 7.66814 6.83135 7.80711 9.72896 3.00605 7.8598 numMergedOcc 0
21 mol 266 unq 1 iso 0 dist 7.66814 13.3286 9.9965 14.6166 8.75066 6.96692 numMergedOcc 0
22 mol 266 unq 2 iso 0 dist 7.66814 13.3286 9.9965 9.72896 3.00605 8.25286 numMergedOcc 0
