0 mol 13 unq 0 iso 0 dist 9.11704 7.14622 9.50751 9.35029 13.4454 8.00865 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 8.12105 6.80105 10.6215 12.5224 16.1281 8.00865 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 9.06142 6.28472 7.18997 14.5227 14.6241 8.98797 numMergedOcc 0
3 mol 56 unq 1 iso 0 dist 8.41264 6.28472 8.66669 14.5227 16.8284 8.98797 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 8.92529 6.59302 4.96361 5.15022 9.73011 6.48531 numMergedOcc 0
5 mol 75 unq 0 iso 0 dist 8.25597 8.26819 8.88127 11.5602 17.1696 9.48876 numMergedOcc 0
6 mol 75 unq 1 iso 0 dist 4.76466 8.26819 6.78257 11.5602 13.6322 9.48876 numMergedOcc 0
7 mol 75 unq 2 iso 0 dist 8.67172 8.26819 4.7798 11.5602 14.0306 9.48876 numMergedOcc 0
8 mol 105 unq 0 iso 0 dist 6.11833 9.3724 6.10266 6.99759 7.29506 7.20953 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.76088 6.61636 12.398 12.9327 18.4872 9.4062 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 5.40826 8.57285 6.60792 11.1239 10.7934 6.40901 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 5.40826 8.57285 6.60792 14.3979 15.3086 9.40626 numMergedOcc 0
12 mol 189 unq 0 iso 0 dist 6.77641 4.96433 5.88642 10.9398 13.8891 8.32712 numMergedOcc 0
13 mol 189 unq 1 iso 0 dist 7.54658 4.96433 4.8442 10.9398 11.9455 8.32712 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 9.90757 7.741 4.83686 3.97757 11.6396 8.50907 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 4.36421 6.96139 10.6276 4.08418 5.96047 7.2498 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.01071 4.57548 11.2678 9.70785 14.8219 8.8827 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 8.86185 4.57548 4.81796 9.70785 9.02899 8.8827 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 5.37747 7.06971 4.60751 9.93414 8.34116 6.45328 numMergedOcc 0
19 mol 273 unq 0 iso 0 dist 5.78262 7.96519 13.2599 10.9098 16.5044 6.94131 numMergedOcc 0
20 mol 273 unq 1 iso 0 dist 5.78262 7.96519 13.2599 13.7674 18.7759 9.84628 numMergedOcc 0
21 mol 273 unq 2 iso 0 dist 7.6489 7.96519 10.9195 10.9098 16.1254 6.94131 numMergedOcc 0
22 mol 273 unq 3 iso 0 dist 7.6489 7.96519 10.9195 13.7674 19.7724 9.84628 numMergedOcc 0
