0 mol 18 unq 0 iso 0 dist 8.24798 6.39307 4.95319 4.49033 8.95294 5.04478 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.02079 6.39307 6.19959 4.49033 7.19022 5.04478 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.62527 9.90986 8.90517 9.35525 9.97152 16.9068 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.62527 9.90986 8.90517 10.7581 9.03539 10.2012 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 8.62527 9.90986 8.90517 7.435 8.74037 14.9554 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 8.66843 8.69574 6.3858 6.13812 7.62709 5.81001 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.40274 9.54368 5.30951 15.6773 7.36397 12.1198 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 9.40274 9.54368 5.30951 14.5544 6.58062 10.8197 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.37388 9.79864 7.88845 10.3995 8.77794 15.6766 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 8.51507 9.87191 6.70718 5.79458 9.88812 10.1719 numMergedOcc 0
10 mol 116 unq 1 iso 0 dist 8.22285 9.21528 6.70718 9.91115 9.88812 10.1719 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 8.53875 5.56446 9.00263 8.66026 8.12409 13.074 numMergedOcc 0
12 mol 195 unq 0 iso 0 dist 9.39697 9.48766 9.72539 4.04021 9.75763 9.32333 numMergedOcc 0
13 mol 195 unq 1 iso 0 dist 4.86882 9.48766 5.49738 4.04021 6.52001 9.32333 numMergedOcc 0
14 mol 195 unq 2 iso 0 dist 4.86882 9.48766 5.49738 8.88132 9.70659 11.5686 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 7.32196 9.99194 4.12472 4.81145 6.19514 8.69525 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 7.35799 7.37488 4.1816 5.93805 8.46687 10.0488 numMergedOcc 0
17 mol 279 unq 1 iso 0 dist 8.34154 7.59142 7.51644 6.7711 6.10834 6.0283 numMergedOcc 0
18 mol 279 unq 2 iso 0 dist 9.07176 7.59142 3.75346 6.7711 8.24233 6.0283 numMergedOcc 0
19 mol 279 unq 3 iso 0 dist 5.90456 7.59142 5.03816 6.7711 8.50767 6.0283 numMergedOcc 0
