0 mol 8 unq 0 iso 0 dist 8.80278 8.73998 17.286 4.35292 9.36839 10.4126 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 8.74565 4.70371 12.2062 6.03377 8.07849 10.2931 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.0009 8.91298 5.76037 4.39847 7.8986 7.24183 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 8.91298 8.0009 5.76037 4.39847 7.24183 7.8986 numMergedOcc 0
4 mol 86 unq 0 iso 0 dist 7.18799 9.59708 9.21866 8.79483 9.62655 16.7401 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 8.70106 5.72494 6.73664 11.4822 7.81042 13.0426 numMergedOcc 0
6 mol 148 unq 0 iso 0 dist 6.72591 8.60157 10.8037 7.50382 9.71692 16.0883 numMergedOcc 0
7 mol 150 unq 0 iso 0 dist 6.80192 8.59359 10.8647 7.48524 9.73708 16.0617 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 8.34722 8.66056 11.6079 6.26228 7.07348 14.0886 numMergedOcc 0
9 mol 189 unq 0 iso 0 dist 8.81184 9.71306 16.0744 12.7403 8.23197 21.2994 numMergedOcc 0
10 mol 189 unq 1 iso 0 dist 8.81184 9.20296 16.3255 12.7403 8.23197 21.6031 numMergedOcc 0
11 mol 189 unq 2 iso 0 dist 9.71306 8.81184 16.0744 6.58275 5.11059 13.5926 numMergedOcc 0
12 mol 189 unq 3 iso 0 dist 9.71306 9.20296 8.74557 6.58275 5.11059 10.0857 numMergedOcc 0
13 mol 259 unq 0 iso 0 dist 9.73735 6.6238 5.25969 5.48962 8.73077 6.76656 numMergedOcc 0
14 mol 259 unq 1 iso 0 dist 6.6238 9.73735 5.25969 5.48962 6.76656 8.73077 numMergedOcc 0
15 mol 259 unq 2 iso 0 dist 9.49732 9.33299 15.3608 17.4311 8.91916 23.956 numMergedOcc 0
16 mol 259 unq 3 iso 0 dist 9.49732 9.33299 15.3608 12.8835 4.55368 19.2993 numMergedOcc 0
17 mol 282 unq 0 iso 0 dist 6.15396 9.18964 5.92133 5.46739 8.61456 8.41041 numMergedOcc 0
18 mol 282 unq 1 iso 0 dist 9.18964 6.15396 5.92133 5.46739 8.41041 8.61456 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 8.821 6.89455 10.0849 5.9309 7.53773 10.5035 numMergedOcc 0
20 mol 283 unq 1 iso 0 dist 8.821 9.82337 16.7238 5.9309 7.53773 15.2707 numMergedOcc 0
21 mol 283 unq 2 iso 0 dist 9.82337 6.89455 7.89565 14.0912 8.3815 12.6739 numMergedOcc 0
22 mol 283 unq 3 iso 0 dist 9.82337 6.89455 7.89565 10.1502 7.13925 12.7264 numMergedOcc 0
23 mol 283 unq 4 iso 0 dist 9.82337 8.821 16.7238 14.0912 8.3815 21.521 numMergedOcc 0
24 mol 283 unq 5 iso 0 dist 9.82337 8.821 16.7238 10.1502 7.13925 18.5078 numMergedOcc 0
25 mol 283 unq 6 iso 0 dist 6.3448 8.07626 7.89565 11.5049 8.3815 12.6739 numMergedOcc 0
26 mol 283 unq 7 iso 0 dist 6.3448 8.07626 7.89565 5.47552 7.13925 12.7264 numMergedOcc 0
27 mol 285 unq 0 iso 0 dist 9.03396 4.09984 7.91838 6.59466 8.08495 9.3482 numMergedOcc 0
28 mol 285 unq 1 iso 0 dist 4.09984 9.03396 7.91838 9.64395 8.70702 12.5449 numMergedOcc 0
29 mol 285 unq 2 iso 0 dist 4.09984 9.03396 7.91838 10.5268 9.43706 17.0615 numMergedOcc 0
30 mol 285 unq 3 iso 0 dist 4.09984 9.03396 7.91838 6.59466 9.3482 8.08495 numMergedOcc 0
31 mol 293 unq 0 iso 0 dist 8.27274 6.02106 5.34794 11.8152 8.42712 12.8233 numMergedOcc 0
