0 mol 26 unq 0 iso 0 dist 8.11402 12.8104 9.25649 6.29981 5.84066 14.3725 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.11402 10.8584 9.36104 6.29981 5.84066 11.3426 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 7.60482 5.92019 5.86571 3.82305 9.35784 9.20886 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 9.87854 7.79265 9.05798 14.5706 6.55202 9.75037 numMergedOcc 0
4 mol 119 unq 1 iso 0 dist 9.87854 7.79265 9.05798 11.9181 9.08536 13.2984 numMergedOcc 0
5 mol 119 unq 2 iso 0 dist 9.87854 11.822 5.85818 14.5706 6.55202 6.71103 numMergedOcc 0
6 mol 119 unq 3 iso 0 dist 9.87854 11.822 5.85818 11.9181 9.08536 6.29394 numMergedOcc 0
7 mol 119 unq 4 iso 0 dist 8.15125 13.0339 9.87025 11.3005 6.13374 6.29394 numMergedOcc 0
8 mol 140 unq 0 iso 0 dist 6.58792 6.58506 8.06396 6.52033 6.88846 7.06747 numMergedOcc 0
9 mol 140 unq 1 iso 0 dist 6.58792 12.2348 8.01587 6.52033 6.88846 7.10913 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 4.86894 4.88215 6.40901 7.21648 8.18023 9.05786 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 4.86894 4.88215 6.40901 9.42107 7.46803 6.16103 numMergedOcc 0
12 mol 143 unq 2 iso 0 dist 4.86894 8.25783 9.40626 7.21648 8.18023 3.75378 numMergedOcc 0
13 mol 143 unq 3 iso 0 dist 4.86894 8.25783 9.40626 9.42107 7.46803 8.4697 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 9.69154 7.56779 9.71865 10.0898 9.27218 15.0713 numMergedOcc 0
15 mol 197 unq 1 iso 0 dist 9.49122 12.7747 9.71865 13.0947 9.27218 15.0713 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 9.69953 9.55996 6.4829 9.38664 6.49938 7.93147 numMergedOcc 0
17 mol 210 unq 1 iso 0 dist 9.69953 9.55996 6.4829 9.19748 5.87339 9.86049 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 6.74861 8.62938 5.10114 12.8946 8.70987 5.73082 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 6.54661 6.12311 8.6597 6.13838 9.38131 4.14399 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 8.97261 6.12311 7.47235 6.13838 6.85253 4.14399 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 9.14992 7.3781 5.91208 10.1438 9.82327 9.58024 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 9.14992 7.3781 5.91208 9.74369 7.06768 6.94907 numMergedOcc 0
23 mol 238 unq 4 iso 0 dist 9.14992 7.3781 5.91208 5.21932 9.08687 4.14399 numMergedOcc 0
24 mol 248 unq 0 iso 0 dist 9.59898 9.43318 8.42446 6.29802 8.07962 8.10311 numMergedOcc 0
25 mol 272 unq 0 iso 0 dist 6.1535 9.81565 7.35433 9.12506 9.19905 3.79986 numMergedOcc 0
