0 mol 76 unq 0 iso 0 dist 6.4551 6.63973 6.77898 7.7047 11.7544 6.14248 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 6.4551 6.63973 6.77898 4.00834 4.83274 6.97936 numMergedOcc 0
2 mol 76 unq 2 iso 0 dist 6.4551 6.63973 6.77898 9.6911 7.89214 5.00466 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 5.9747 7.34638 7.03983 12.2811 10.8197 6.84952 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 4.50572 6.0995 7.03983 12.1911 10.8197 6.84952 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 10.7419 12.411 8.86846 numMergedOcc 0
6 mol 128 unq 0 iso 0 dist 8.01677 9.45412 10.0888 14.238 18.4509 9.66537 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 11.236 14.3241 8.85652 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 5.49877 5.82945 4.97996 7.43279 9.05626 9.67398 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 5.49877 5.82945 4.97996 9.91399 11.7446 7.15213 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 8.07256 9.81212 7.68889 4.62126 11.0227 9.21757 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 8.07256 9.81212 7.68889 8.90456 10.2576 6.75471 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 4.44292 7.25009 7.10286 7.64573 8.66709 5.55218 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 6.07091 6.51523 7.5383 5.24208 6.01711 9.67711 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 8.10287 8.69512 6.37317 7.47443 6.57849 5.63283 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 5.4913 8.69512 12.8695 7.47443 10.8734 5.63283 numMergedOcc 0
16 mol 219 unq 0 iso 0 dist 4.87446 9.74779 8.8527 7.00921 10.3945 8.3704 numMergedOcc 0
17 mol 219 unq 1 iso 0 dist 7.49235 9.74779 11.4193 7.00921 12.328 8.3704 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 9.94315 7.13727 7.06793 6.31101 11.7876 9.67281 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 8.59074 8.56975 7.06793 4.13744 11.7876 9.67281 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 9.12507 4.95855 7.09907 6.92619 14.9752 8.40328 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 9.12507 7.72489 9.71793 6.92619 14.9752 8.2518 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 8.59986 6.22195 4.74189 6.31111 7.72749 4.93584 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 8.59986 6.22195 4.74189 5.57126 10.0438 5.60245 numMergedOcc 0
