0 mol 76 unq 0 iso 0 dist 6.4551 6.63973 6.77898 7.7047 11.7544 6.14248 12.1652 14.6416 8.66335 7.02854 numMergedOcc 0
1 mol 128 unq 0 iso 0 dist 8.01677 9.45412 10.0888 14.238 18.4509 9.66537 13.2451 13.864 8.13018 8.94995 numMergedOcc 0
2 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 11.236 14.3241 8.85652 10.2254 10.9907 4.79473 7.07421 numMergedOcc 0
3 mol 130 unq 0 iso 0 dist 5.49877 5.82945 4.97996 7.43279 9.05626 9.67398 11.9351 9.97628 9.69908 7.9663 numMergedOcc 0
4 mol 152 unq 0 iso 0 dist 8.07256 9.81212 7.68889 4.62126 11.0227 9.21757 11.0247 10.1755 5.46646 9.57285 numMergedOcc 0
5 mol 171 unq 0 iso 0 dist 6.07091 6.51523 7.5383 5.24208 6.01711 9.67711 10.111 5.53673 12.6471 9.47945 numMergedOcc 0
6 mol 219 unq 0 iso 0 dist 4.87446 9.74779 8.8527 7.00921 10.3945 8.3704 9.52151 10.9246 5.05436 4.67452 numMergedOcc 0
7 mol 219 unq 1 iso 0 dist 7.49235 9.74779 11.4193 7.00921 12.328 8.3704 9.52151 13.5876 5.05436 4.67452 numMergedOcc 0
8 mol 238 unq 0 iso 0 dist 9.94315 7.13727 7.06793 6.31101 11.7876 9.67281 9.25424 16.5687 12.4194 5.57184 numMergedOcc 0
9 mol 238 unq 1 iso 0 dist 8.59074 8.56975 7.06793 4.13744 11.7876 9.67281 9.46728 16.5687 12.4194 5.57184 numMergedOcc 0
10 mol 259 unq 0 iso 0 dist 9.12507 4.95855 7.09907 6.92619 14.9752 8.40328 7.97113 13.3027 10.2743 8.91916 numMergedOcc 0
11 mol 259 unq 1 iso 0 dist 9.12507 4.95855 7.09907 6.92619 14.9752 8.40328 5.22111 12.3218 7.06301 4.55368 numMergedOcc 0
12 mol 259 unq 2 iso 0 dist 9.12507 7.72489 9.71793 6.92619 14.9752 8.2518 7.97113 13.3027 11.46 8.91916 numMergedOcc 0
13 mol 259 unq 3 iso 0 dist 9.12507 7.72489 9.71793 6.92619 14.9752 8.2518 5.22111 12.3218 7.80863 4.55368 numMergedOcc 0
14 mol 266 unq 0 iso 0 dist 8.59986 6.22195 4.74189 6.31111 7.72749 4.93584 13.2523 10.2159 7.58368 9.58577 numMergedOcc 0
15 mol 266 unq 1 iso 0 dist 8.59986 6.22195 4.74189 5.57126 10.0438 5.60245 13.2523 10.2159 7.58368 9.56469 numMergedOcc 0
