0 mol 68 unq 0 iso 0 dist 5.73908 6.77421 11.2311 5.57551 5.08181 8.41751 numMergedOcc 0
1 mol 68 unq 0 iso 1 dist 6.77421 5.73908 11.2311 5.57551 8.41751 5.08181 numMergedOcc 0
2 mol 123 unq 0 iso 0 dist 8.56386 7.15869 13.8924 8.30974 13.0523 6.41552 numMergedOcc 0
3 mol 123 unq 0 iso 1 dist 7.15869 8.56386 13.8924 8.30974 6.41552 13.0523 numMergedOcc 0
4 mol 127 unq 0 iso 0 dist 8.58317 5.52891 6.87199 8.94636 6.18261 3.75302 numMergedOcc 0
5 mol 127 unq 0 iso 1 dist 5.52891 8.58317 6.87199 8.94636 3.75302 6.18261 numMergedOcc 0
6 mol 163 unq 0 iso 0 dist 8.66172 6.89529 15.2428 9.37245 16.5748 4.09125 numMergedOcc 0
7 mol 163 unq 0 iso 1 dist 6.89529 8.66172 15.2428 9.37245 4.09125 16.5748 numMergedOcc 0
8 mol 210 unq 0 iso 0 dist 5.33103 9.01301 7.38798 9.49242 13.5812 12.9549 numMergedOcc 0
9 mol 210 unq 0 iso 1 dist 9.01301 5.33103 7.38798 9.49242 12.9549 13.5812 numMergedOcc 0
10 mol 210 unq 1 iso 0 dist 5.33103 9.01301 7.38798 9.25184 10.061 5.11839 numMergedOcc 0
11 mol 210 unq 1 iso 1 dist 9.01301 5.33103 7.38798 9.25184 5.11839 10.061 numMergedOcc 0
12 mol 215 unq 0 iso 0 dist 5.92204 7.16839 6.09605 9.25387 4.31172 5.44866 numMergedOcc 0
13 mol 215 unq 0 iso 1 dist 7.16839 5.92204 6.09605 9.25387 5.44866 4.31172 numMergedOcc 0
14 mol 217 unq 0 iso 0 dist 8.72578 8.80103 15.2136 8.99517 12.1223 5.32856 numMergedOcc 0
15 mol 217 unq 0 iso 1 dist 8.80103 8.72578 15.2136 8.99517 5.32856 12.1223 numMergedOcc 0
16 mol 247 unq 0 iso 0 dist 8.21164 8.40674 11.3859 4.78189 6.27547 7.88685 numMergedOcc 0
17 mol 247 unq 0 iso 1 dist 8.40674 8.21164 11.3859 4.78189 7.88685 6.27547 numMergedOcc 0
18 mol 247 unq 1 iso 0 dist 8.21164 6.09851 11.6855 4.78189 6.27547 8.43878 numMergedOcc 0
19 mol 247 unq 1 iso 1 dist 6.09851 8.21164 11.6855 4.78189 8.43878 6.27547 numMergedOcc 0
20 mol 247 unq 1 iso 0 dist 8.40674 6.09851 13.9642 4.78189 7.88685 8.43878 numMergedOcc 0
21 mol 247 unq 1 iso 1 dist 6.09851 8.40674 13.9642 4.78189 8.43878 7.88685 numMergedOcc 0
22 mol 250 unq 0 iso 0 dist 5.43868 7.02096 7.52797 9.7302 7.10919 4.7951 numMergedOcc 0
23 mol 250 unq 0 iso 1 dist 7.02096 5.43868 7.52797 9.7302 4.7951 7.10919 numMergedOcc 0
24 mol 250 unq 1 iso 0 dist 5.43868 9.80833 6.53265 9.7302 7.10919 10.5301 numMergedOcc 0
25 mol 250 unq 1 iso 1 dist 9.80833 5.43868 6.53265 9.7302 10.5301 7.10919 numMergedOcc 0
26 mol 250 unq 1 iso 0 dist 7.02096 9.80833 11.3445 9.7302 4.7951 10.5301 numMergedOcc 0
27 mol 250 unq 1 iso 1 dist 9.80833 7.02096 11.3445 9.7302 10.5301 4.7951 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 8.55037 5.71656 13.7241 7.48987 13.8815 5.13965 numMergedOcc 0
29 mol 294 unq 0 iso 1 dist 5.71656 8.55037 13.7241 7.48987 5.13965 13.8815 numMergedOcc 0
30 mol 294 unq 1 iso 0 dist 8.55037 5.71656 13.7241 8.35637 12.3727 7.32602 numMergedOcc 0
31 mol 294 unq 1 iso 1 dist 5.71656 8.55037 13.7241 8.35637 7.32602 12.3727 numMergedOcc 0
