0 mol 26 unq 0 iso 0 dist 9.15677 5.03531 6.33493 15.2626 9.61029 11.0698 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 8.05598 5.58536 9.13772 5.71189 7.34019 10.7133 numMergedOcc 0
2 mol 36 unq 1 iso 0 dist 7.34019 6.6055 8.76585 5.71189 8.05598 10.1135 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 6.14934 8.03678 4.50835 6.02794 8.64833 8.7885 numMergedOcc 0
4 mol 42 unq 1 iso 0 dist 8.64833 8.7885 4.50835 6.02794 6.14934 8.03678 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 8.61163 7.77212 5.8646 6.00278 7.80805 10.8452 numMergedOcc 0
6 mol 53 unq 1 iso 0 dist 7.80805 9.72637 5.20563 6.00278 8.61163 12.5688 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 7.67586 8.90147 9.60641 10.8184 8.97292 14.1781 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 8.87148 9.85144 6.21159 5.33782 9.26057 6.60464 numMergedOcc 0
9 mol 123 unq 1 iso 0 dist 9.26057 6.60464 6.21159 5.33782 8.87148 9.85144 numMergedOcc 0
10 mol 176 unq 0 iso 0 dist 4.96326 7.02812 5.02061 10.6794 9.09976 14.07 numMergedOcc 0
11 mol 176 unq 1 iso 0 dist 4.96326 7.02812 5.02061 11.8589 9.73567 14.2558 numMergedOcc 0
12 mol 182 unq 0 iso 0 dist 6.31492 8.43599 11.1685 10.8595 7.8621 15.7825 numMergedOcc 0
13 mol 182 unq 1 iso 0 dist 7.8621 7.01577 6.1548 10.8595 6.31492 11.2241 numMergedOcc 0
14 mol 198 unq 0 iso 0 dist 5.80867 7.48253 4.27652 9.85954 9.4363 6.13687 numMergedOcc 0
15 mol 198 unq 1 iso 0 dist 9.4363 6.13687 4.27652 9.85954 5.80867 7.48253 numMergedOcc 0
16 mol 213 unq 0 iso 0 dist 4.71403 6.19516 5.99437 6.46536 8.10356 12.3093 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 8.3035 6.03628 4.15355 7.54507 9.01896 10.0467 numMergedOcc 0
18 mol 214 unq 1 iso 0 dist 9.01896 7.81831 7.79075 7.54507 8.3035 12.7999 numMergedOcc 0
19 mol 217 unq 0 iso 0 dist 9.55587 8.92812 5.62746 4.11805 9.38111 11.0382 numMergedOcc 0
20 mol 217 unq 1 iso 0 dist 9.55587 8.92812 5.62746 14.9224 8.28941 10.9779 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.29203 9.59909 8.71924 7.89598 7.2527 13.7686 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 7.80166 9.59909 14.2741 7.89598 7.13194 13.7686 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 5.76077 8.86676 9.46115 11.7205 7.0247 14.0165 numMergedOcc 0
24 mol 282 unq 0 iso 0 dist 6.65024 9.02882 4.50378 5.17526 8.74201 11.9335 numMergedOcc 0
