0 mol 30 unq 0 iso 0 dist 8.20049 4.32449 9.46036 9.50224 4.07703 9.72515 numMergedOcc 0
1 mol 63 unq 0 iso 0 dist 8.54119 10.2511 7.89201 12.6156 6.11728 7.76044 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 7.62621 16.1045 9.83906 9.52936 4.23182 9.77304 numMergedOcc 0
3 mol 108 unq 0 iso 0 dist 8.69068 6.97518 5.52402 10.3972 7.65804 6.29966 numMergedOcc 0
4 mol 108 unq 1 iso 0 dist 8.69068 6.97518 5.52402 13.1299 14.3699 9.31725 numMergedOcc 0
5 mol 108 unq 2 iso 0 dist 8.69068 6.97518 5.52402 11.8354 13.8903 9.57358 numMergedOcc 0
6 mol 108 unq 3 iso 0 dist 8.69068 6.97518 5.52402 5.8711 4.85222 5.38329 numMergedOcc 0
7 mol 108 unq 4 iso 0 dist 8.69068 4.62224 7.57593 5.8711 4.85222 7.62421 numMergedOcc 0
8 mol 108 unq 5 iso 0 dist 8.89997 5.53449 6.79804 9.81705 9.35984 6.29966 numMergedOcc 0
9 mol 108 unq 6 iso 0 dist 8.89997 5.53449 6.79804 6.32309 11.9597 9.31725 numMergedOcc 0
10 mol 108 unq 7 iso 0 dist 8.89997 5.53449 6.79804 8.60437 13.7036 9.57358 numMergedOcc 0
11 mol 108 unq 8 iso 0 dist 8.89997 5.53449 6.79804 10.3141 10.7411 5.38329 numMergedOcc 0
12 mol 110 unq 0 iso 0 dist 5.36955 4.65265 5.43052 11.029 7.87269 7.1891 numMergedOcc 0
13 mol 110 unq 1 iso 0 dist 5.36955 4.65265 5.43052 11.8072 10.5488 7.67702 numMergedOcc 0
14 mol 124 unq 0 iso 0 dist 8.48985 9.35084 7.83509 7.24083 3.89739 5.69775 numMergedOcc 0
15 mol 151 unq 0 iso 0 dist 8.25396 9.10018 9.74969 8.1034 4.20596 8.96469 numMergedOcc 0
16 mol 153 unq 0 iso 0 dist 5.9974 4.7182 5.44883 8.92147 4.20904 9.6083 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 8.1126 5.7856 9.86506 11.8476 8.54675 9.11445 numMergedOcc 0
18 mol 217 unq 0 iso 0 dist 9.51059 4.89824 8.79299 13.8942 14.9659 9.62606 numMergedOcc 0
19 mol 265 unq 0 iso 0 dist 9.83854 12.5955 6.98812 16.4289 9.76011 5.14122 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 8.28068 5.08363 8.80418 9.74822 7.85589 5.78449 numMergedOcc 0
21 mol 294 unq 0 iso 0 dist 8.88961 7.11058 5.27236 14.1778 11.4279 7.6859 numMergedOcc 0
22 mol 294 unq 1 iso 0 dist 8.88961 7.11058 5.27236 15.2118 9.32276 8.35722 numMergedOcc 0
