0 mol 11 unq 0 iso 0 dist 6.27964 4.37231 6.79478 5.87616 7.53641 5.7435 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.8689 4.80143 6.79478 9.56493 7.53641 5.7435 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 6.40556 5.94149 7.14934 10.1396 5.56136 6.89136 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 5.272 4.87741 7.14934 5.29367 5.56136 6.89136 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 7.87317 11.9718 6.87871 19.0218 13.0514 7.10899 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 7.93406 7.71984 7.84983 5.35101 7.63046 6.36193 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 7.93406 4.67517 9.56737 5.35101 7.63046 4.88613 numMergedOcc 0
7 mol 110 unq 0 iso 0 dist 7.1891 4.65767 5.25492 12.2717 11.3462 9.73174 numMergedOcc 0
8 mol 110 unq 1 iso 0 dist 7.1891 4.65767 5.25492 13.2598 12.1775 9.65418 numMergedOcc 0
9 mol 110 unq 2 iso 0 dist 7.67702 5.33778 5.25492 8.36172 11.3462 9.73174 numMergedOcc 0
10 mol 110 unq 3 iso 0 dist 7.67702 5.33778 5.25492 10.3804 12.1775 9.65418 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 9.78409 11.3174 8.40046 15.4787 14.6411 9.42513 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 7.79845 10.5943 7.70349 12.2287 4.56231 8.25314 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 8.12739 8.65331 9.57611 12.1084 7.44933 8.58906 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.02183 10.3296 6.43406 15.4118 10.3022 7.41378 numMergedOcc 0
15 mol 196 unq 0 iso 0 dist 8.62618 8.07956 6.76923 8.78916 3.60144 8.79558 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 6.02845 5.6375 9.31246 5.92025 5.972 7.89744 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 6.02845 5.6375 9.31246 9.04819 5.91643 8.6417 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 5.59164 5.77573 6.83152 9.61428 4.34203 9.13537 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 5.62744 9.00069 6.37342 13.8479 11.0479 6.44212 numMergedOcc 0
20 mol 249 unq 0 iso 0 dist 8.9281 12.6924 7.29898 15.7449 11.3437 6.37672 numMergedOcc 0
21 mol 249 unq 1 iso 0 dist 8.9281 12.6924 7.29898 14.5161 11.2158 8.94023 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 8.8726 6.60345 8.58088 8.62592 3.95075 5.73834 numMergedOcc 0
