0 mol 95 unq 0 iso 0 dist 6.82522 6.54247 4.56119 13.3438 9.70292 14.2143 numMergedOcc 0
1 mol 95 unq 1 iso 0 dist 6.82522 6.54247 4.56119 11.578 9.59704 12.8555 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 7.92498 6.61697 7.1034 9.33696 6.12348 9.06319 numMergedOcc 0
3 mol 128 unq 0 iso 0 dist 5.32517 7.12662 8.30851 9.02609 9.67042 12.7228 numMergedOcc 0
4 mol 128 unq 1 iso 0 dist 5.32517 7.12662 8.30851 6.24319 7.95999 10.7951 numMergedOcc 0
5 mol 128 unq 2 iso 0 dist 5.32517 9.38 12.0704 9.02609 9.67042 12.8445 numMergedOcc 0
6 mol 128 unq 3 iso 0 dist 5.32517 9.38 12.0704 6.24319 7.95999 14.0555 numMergedOcc 0
7 mol 128 unq 4 iso 0 dist 7.6275 7.12662 8.39591 9.02609 9.01072 12.7228 numMergedOcc 0
8 mol 128 unq 5 iso 0 dist 7.6275 9.38 11.7516 9.02609 9.01072 12.8445 numMergedOcc 0
9 mol 128 unq 6 iso 0 dist 7.4738 7.12662 3.81254 6.24319 9.45412 10.7951 numMergedOcc 0
10 mol 128 unq 7 iso 0 dist 7.4738 9.38 6.13996 6.24319 9.45412 14.0555 numMergedOcc 0
11 mol 128 unq 8 iso 0 dist 7.04282 7.12662 4.79627 9.02609 8.77539 12.7228 numMergedOcc 0
12 mol 128 unq 9 iso 0 dist 7.04282 9.38 4.769 9.02609 8.77539 12.8445 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 8.47476 5.96324 12.4943 11.0797 5.56446 15.3055 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 8.47476 9.22913 6 11.0797 5.56446 9.92715 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 8.11268 6.85177 7.16323 9.33941 6.27683 9.23839 numMergedOcc 0
16 mol 169 unq 1 iso 0 dist 8.11268 8.88729 11.9514 9.33941 6.27683 14.1736 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 6.22466 8.86574 12.7948 13.2447 9.18289 17.2981 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 6.22466 8.86574 12.7948 6.21482 6.52441 9.34653 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 6.22466 8.86574 12.7948 4.68208 6.26168 11.9226 numMergedOcc 0
20 mol 226 unq 0 iso 0 dist 9.31677 7.4717 13.2885 8.63354 9.71835 14.6383 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 5.36841 6.10062 3.95362 8.82656 7.90991 10.8916 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 7.47945 9.03149 6.13843 3.35321 5.39924 9.24564 numMergedOcc 0
23 mol 260 unq 0 iso 0 dist 7.90537 5.33881 9.04755 9.31424 7.27503 9.73217 numMergedOcc 0
24 mol 285 unq 0 iso 0 dist 5.77107 5.93983 5.00843 13.2325 8.69325 10.7484 numMergedOcc 0
25 mol 285 unq 1 iso 0 dist 5.77107 5.93983 5.00843 7.67857 5.09181 7.73438 numMergedOcc 0
