0 mol 9 unq 0 iso 0 dist 9.29529 9.57198 4.45625 13.9252 11.7976 7.35972 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.29529 9.57198 4.45625 18.4167 13.8392 9.93542 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 7.2199 9.57198 6.0397 13.9252 11.6997 7.35972 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 7.2199 9.57198 6.0397 18.4167 14.5309 9.93542 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 5.43238 8.73067 8.17605 7.5901 9.09091 7.98326 numMergedOcc 0
5 mol 11 unq 1 iso 0 dist 5.43238 8.73067 8.17605 12.5553 14.1794 7.46578 numMergedOcc 0
6 mol 11 unq 2 iso 0 dist 5.43238 9.09091 7.5901 8.17605 8.73067 7.98326 numMergedOcc 0
7 mol 11 unq 3 iso 0 dist 5.43238 9.09091 7.5901 12.9594 13.873 7.90478 numMergedOcc 0
8 mol 32 unq 0 iso 0 dist 7.48825 4.62858 7.14527 5.52033 12.7733 8.5315 numMergedOcc 0
9 mol 48 unq 0 iso 0 dist 9.54797 7.34031 12.9941 8.13678 17.206 8.29857 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 9.76285 7.281 13.0328 8.24402 17.448 8.19993 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 9.86739 9.83981 9.47219 16.0864 12.825 8.42878 numMergedOcc 0
12 mol 114 unq 1 iso 0 dist 9.49413 6.51395 9.47219 4.41568 12.825 8.42878 numMergedOcc 0
13 mol 114 unq 2 iso 0 dist 8.39249 9.83981 14.0577 16.0864 19.6107 8.42878 numMergedOcc 0
14 mol 114 unq 3 iso 0 dist 8.93623 9.83981 10.6837 16.0864 18.91 8.42878 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 6.98849 6.87262 6.15037 10.6436 10.5533 6.84835 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 6.98849 6.87262 6.15037 9.01682 13.541 8.42748 numMergedOcc 0
17 mol 156 unq 0 iso 0 dist 6.90155 5.81122 10.143 5.05683 10.735 8.37434 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.20656 9.06217 14.048 10.6325 17.5301 7.32087 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 8.20656 9.06217 14.048 8.15174 15.5674 8.86197 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 9.40622 7.13252 14.048 8.45963 17.5301 7.32087 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 9.40622 7.13252 14.048 11.047 15.5674 8.86197 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 9.86861 7.10413 10.4271 10.9886 15.1077 9.78181 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 7.27958 6.54825 10.1944 7.96337 12.1942 6.94789 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 6.00721 6.62002 9.71156 4.38002 7.04753 5.92374 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 6.00721 7.04753 4.38002 9.71156 6.62002 5.92374 numMergedOcc 0
26 mol 250 unq 0 iso 0 dist 8.86638 5.97993 6.40578 7.73342 6.28538 9.70149 numMergedOcc 0
27 mol 250 unq 1 iso 0 dist 8.86638 6.28538 7.73342 6.40578 5.97993 9.70149 numMergedOcc 0
28 mol 250 unq 2 iso 0 dist 5.94383 6.44252 6.40578 5.66455 6.28538 9.70149 numMergedOcc 0
29 mol 250 unq 3 iso 0 dist 5.94383 6.28538 5.66455 6.40578 6.44252 9.70149 numMergedOcc 0
30 mol 250 unq 4 iso 0 dist 8.16469 6.28538 4.45194 6.40578 12.0227 9.70149 numMergedOcc 0
31 mol 250 unq 5 iso 0 dist 7.88284 6.44252 9.48491 5.66455 10.8727 9.70149 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 8.49866 9.20749 11.0599 4.60275 11.838 9.16942 numMergedOcc 0
33 mol 280 unq 0 iso 0 dist 9.69863 7.82157 4.45514 9.56032 11.1505 6.73712 numMergedOcc 0
34 mol 280 unq 1 iso 0 dist 9.69863 7.82157 4.45514 6.37191 10.8938 9.35704 numMergedOcc 0
