0 mol 11 unq 0 iso 0 dist 5.87616 4.37231 5.7435 6.27964 7.53641 6.79478 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 5.29367 4.87741 6.89136 10.0932 6.90106 8.94292 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 5.29367 4.87741 6.89136 5.272 5.56136 7.14934 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 9.49676 6.12182 5.73067 9.81175 5.47531 9.23576 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 5.35101 7.71984 6.36193 7.93406 7.63046 7.84983 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 5.35101 4.67517 4.88613 7.93406 7.63046 9.56737 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 8.68381 12.5529 6.36193 12.2523 7.63046 7.84983 numMergedOcc 0
7 mol 58 unq 3 iso 0 dist 8.68381 8.47822 4.88613 12.2523 7.63046 9.56737 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 7.17678 9.69519 9.8809 13.167 10.5183 9.57969 numMergedOcc 0
9 mol 110 unq 0 iso 0 dist 8.36172 5.33778 9.73174 7.67702 11.3462 5.25492 numMergedOcc 0
10 mol 110 unq 1 iso 0 dist 9.95088 4.60073 9.65418 9.75478 12.1775 5.25492 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 5.93515 10.7307 7.41378 14.9567 10.3022 6.43406 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 4.85577 7.37734 8.03995 14.4829 14.6683 7.66381 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 9.44772 14.1208 8.03995 21.2282 14.6683 7.66381 numMergedOcc 0
14 mol 196 unq 0 iso 0 dist 8.78916 8.07956 8.79558 8.62618 3.60144 6.76923 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 5.92025 5.6375 7.89744 6.02845 5.972 9.31246 numMergedOcc 0
16 mol 236 unq 1 iso 0 dist 9.04819 5.6375 8.6417 6.02845 5.91643 9.31246 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.61428 5.77573 9.13537 5.59164 4.34203 6.83152 numMergedOcc 0
18 mol 241 unq 0 iso 0 dist 7.79013 10.2076 9.10633 12.8152 11.4382 9.72526 numMergedOcc 0
19 mol 241 unq 1 iso 0 dist 9.33399 10.1832 9.10633 18.1124 11.4382 9.72526 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 8.62592 6.60345 5.73834 8.8726 3.95075 8.58088 numMergedOcc 0
21 mol 265 unq 0 iso 0 dist 9.83854 15.3375 7.04833 20.1636 10.3384 8.1498 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.96682 13.2905 9.09967 11.9894 5.66978 7.79904 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 9.96682 13.2905 9.09967 18.8842 10.88 9.86142 numMergedOcc 0
24 mol 274 unq 2 iso 0 dist 9.96682 4.68199 8.49076 11.9894 5.66978 9.02749 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 9.84936 5.07427 8.51931 12.136 17.1833 9.98528 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 9.84936 10.2752 8.96343 15.7875 13.4151 9.02914 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 8.53542 4.51764 7.74162 12.4363 11.6227 8.13489 numMergedOcc 0
