0 mol 16 unq 0 iso 0 dist 7.72142 10.1908 9.51574 4.49982 9.39137 6.9912 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.72142 4.49982 9.39137 10.1908 9.51574 6.9912 numMergedOcc 0
2 mol 108 unq 0 iso 0 dist 9.24001 13.8402 7.84262 12.7621 9.29208 6.45014 numMergedOcc 0
3 mol 108 unq 0 iso 1 dist 9.24001 12.7621 9.29208 13.8402 7.84262 6.45014 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 8.26291 10.0626 6.00391 8.28869 9.70695 13.4828 numMergedOcc 0
5 mol 130 unq 0 iso 1 dist 8.26291 8.28869 9.70695 10.0626 6.00391 13.4828 numMergedOcc 0
6 mol 130 unq 1 iso 0 dist 7.86001 9.84637 6.00391 10.3345 9.70695 13.4828 numMergedOcc 0
7 mol 130 unq 1 iso 1 dist 7.86001 10.3345 9.70695 9.84637 6.00391 13.4828 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 9.74966 9.75787 8.9755 7.53325 6.58752 7.64654 numMergedOcc 0
9 mol 148 unq 0 iso 1 dist 9.74966 7.53325 6.58752 9.75787 8.9755 7.64654 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 9.87914 9.78599 9.06573 7.68304 6.62442 7.66386 numMergedOcc 0
11 mol 150 unq 0 iso 1 dist 9.87914 7.68304 6.62442 9.78599 9.06573 7.66386 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 7.08434 5.57895 5.71438 5.75463 7.69328 5.82281 numMergedOcc 0
13 mol 178 unq 0 iso 1 dist 7.08434 5.75463 7.69328 5.57895 5.71438 5.82281 numMergedOcc 0
14 mol 189 unq 0 iso 0 dist 8.80847 8.64858 7.76062 13.4994 8.64309 5.71629 numMergedOcc 0
15 mol 189 unq 0 iso 1 dist 8.80847 13.4994 8.64309 8.64858 7.76062 5.71629 numMergedOcc 0
16 mol 207 unq 0 iso 0 dist 4.55528 4.797 9.09845 6.10151 9.50021 5.85282 numMergedOcc 0
17 mol 207 unq 0 iso 1 dist 4.55528 6.10151 9.50021 4.797 9.09845 5.85282 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 8.87355 4.07526 9.77593 6.45021 8.85972 8.52622 numMergedOcc 0
19 mol 279 unq 0 iso 1 dist 8.87355 6.45021 8.85972 4.07526 9.77593 8.52622 numMergedOcc 0
20 mol 279 unq 1 iso 0 dist 8.18179 10.7449 9.77593 7.26242 8.85972 8.52622 numMergedOcc 0
21 mol 279 unq 1 iso 1 dist 8.18179 7.26242 8.85972 10.7449 9.77593 8.52622 numMergedOcc 0
22 mol 279 unq 2 iso 0 dist 9.51355 12.552 9.77593 5.08267 8.85972 8.52622 numMergedOcc 0
23 mol 279 unq 2 iso 1 dist 9.51355 5.08267 8.85972 12.552 9.77593 8.52622 numMergedOcc 0
24 mol 294 unq 0 iso 0 dist 7.86768 11.3253 9.68579 13.7395 8.60714 12.1381 numMergedOcc 0
25 mol 294 unq 0 iso 1 dist 7.86768 13.7395 8.60714 11.3253 9.68579 12.1381 numMergedOcc 0
