0 mol 28 unq 0 iso 0 dist 7.64064 8.06843 4.23443 12.0732 10.7046 8.02162 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.52826 8.06843 5.4811 12.0732 9.68412 8.02162 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.52017 9.72036 8.45249 4.45291 6.95457 8.25915 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.52017 9.3718 4.5601 4.45291 6.95457 9.81007 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 5.62329 4.95504 7.01382 8.80404 14.1681 9.61211 numMergedOcc 0
5 mol 124 unq 0 iso 0 dist 5.03702 9.01881 4.95526 5.20574 7.46623 8.636 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 5.53721 7.50304 5.11518 9.99834 12.2368 9.79115 numMergedOcc 0
7 mol 176 unq 0 iso 0 dist 8.95295 4.67031 6.22252 5.74134 12.6083 7.69241 numMergedOcc 0
8 mol 176 unq 1 iso 0 dist 8.95295 8.98043 9.26997 5.74134 12.6083 7.77962 numMergedOcc 0
9 mol 176 unq 2 iso 0 dist 8.95295 6.8243 4.96592 5.74134 12.6083 8.6431 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 6.4064 5.86468 9.86813 13.0222 14.8416 8.98606 numMergedOcc 0
11 mol 184 unq 1 iso 0 dist 7.17252 5.86468 6.13585 13.0222 10.5586 8.98606 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.44052 7.00382 9.68366 4.18399 13.4493 8.51947 numMergedOcc 0
13 mol 230 unq 0 iso 0 dist 7.02381 7.12149 3.83847 5.93615 9.48167 9.35071 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 8.00415 7.45508 5.98994 11.0598 5.55434 7.01673 numMergedOcc 0
15 mol 284 unq 0 iso 0 dist 8.69983 5.31097 6.26735 5.28356 10.6088 8.2474 numMergedOcc 0
