0 mol 0 unq 0 iso 0 dist 8.82102 9.66691 6.80481 4.87624 7.65806 10.7838 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 8.33883 8.63347 4.65873 5.38671 5.05803 6.57331 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 8.33883 8.63347 4.65873 5.45161 6.31718 8.43054 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.90845 9.03541 4.79736 9.59761 8.86116 12.3058 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.90845 9.03541 4.79736 9.89489 8.38394 10.6772 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 6.87871 9.45239 9.36867 8.95909 9.24927 16.5571 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.84983 8.63912 4.23671 11.5882 6.62496 10.2845 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 9.56737 8.63912 5.6823 11.5882 6.35756 10.2845 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 4.98104 8.67475 4.46885 10.7572 7.4729 8.3773 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 4.98104 8.67475 4.46885 5.50764 6.82344 11.1432 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.42766 7.14258 8.84069 14.0677 8.73993 16.2889 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 7.83619 8.15289 10.4339 10.0837 9.28393 17.041 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.10619 8.78112 4.84714 9.66339 8.56324 8.9192 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 9.10619 8.78112 4.84714 13.9994 6.70283 9.27706 numMergedOcc 0
14 mol 152 unq 2 iso 0 dist 9.10619 8.78112 4.84714 14.2552 7.16148 11.6735 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 9.00898 8.87876 5.57734 5.96451 9.29945 10.8463 numMergedOcc 0
16 mol 178 unq 0 iso 0 dist 8.0974 7.97 9.4452 12.2822 6.69288 12.0355 numMergedOcc 0
17 mol 178 unq 1 iso 0 dist 8.0974 7.97 9.4452 12.4338 6.43573 14.9034 numMergedOcc 0
18 mol 178 unq 2 iso 0 dist 8.0974 7.97 9.4452 13.9722 7.17202 14.659 numMergedOcc 0
19 mol 178 unq 3 iso 0 dist 8.0974 7.97 9.4452 13.5599 8.81551 16.8397 numMergedOcc 0
20 mol 178 unq 4 iso 0 dist 8.0974 6.95432 6.42973 12.2822 6.69288 7.06025 numMergedOcc 0
21 mol 178 unq 5 iso 0 dist 8.0974 6.95432 6.42973 12.4338 6.43573 10.0638 numMergedOcc 0
22 mol 178 unq 6 iso 0 dist 8.0974 6.95432 6.42973 13.9722 7.17202 13.2692 numMergedOcc 0
23 mol 178 unq 7 iso 0 dist 8.0974 6.95432 6.42973 13.5599 8.81551 15.0672 numMergedOcc 0
24 mol 178 unq 8 iso 0 dist 8.0974 9.32853 10.8373 12.2822 6.69288 15.7548 numMergedOcc 0
25 mol 178 unq 9 iso 0 dist 8.0974 9.32853 10.8373 12.4338 6.43573 17.2277 numMergedOcc 0
26 mol 178 unq 10 iso 0 dist 8.0974 9.32853 10.8373 13.9722 7.17202 13.544 numMergedOcc 0
27 mol 178 unq 11 iso 0 dist 8.0974 9.32853 10.8373 13.5599 8.81551 15.2622 numMergedOcc 0
28 mol 197 unq 0 iso 0 dist 8.64255 8.18029 9.80333 11.8861 8.56633 16.8142 numMergedOcc 0
29 mol 210 unq 0 iso 0 dist 9.67457 9.11574 13.1851 5.82028 6.18308 10.8156 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 7.31105 7.27248 9.9903 14.6296 9.23153 16.568 numMergedOcc 0
31 mol 220 unq 1 iso 0 dist 7.31105 7.27248 9.9903 9.52692 8.24498 15.7019 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 9.33771 8.96784 5.72475 5.41021 8.95269 10.7726 numMergedOcc 0
33 mol 224 unq 1 iso 0 dist 9.33771 8.96784 5.72475 4.91322 6.57273 9.29862 numMergedOcc 0
34 mol 224 unq 2 iso 0 dist 9.33771 8.96784 5.72475 12.979 5.78342 11.3625 numMergedOcc 0
35 mol 224 unq 3 iso 0 dist 7.39839 8.96784 4.7981 7.65225 6.65832 11.2123 numMergedOcc 0
36 mol 224 unq 4 iso 0 dist 7.39839 8.96784 4.7981 4.91322 6.60589 9.29862 numMergedOcc 0
37 mol 224 unq 5 iso 0 dist 7.39839 8.96784 4.7981 12.979 9.16166 11.3625 numMergedOcc 0
38 mol 229 unq 0 iso 0 dist 9.84492 8.70717 4.17276 11.9226 8.22528 10.3243 numMergedOcc 0
39 mol 230 unq 0 iso 0 dist 8.43766 7.8356 10.1197 7.07028 6.7547 10.5257 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 8.77254 6.92437 4.66414 5.74377 8.04248 8.23087 numMergedOcc 0
41 mol 236 unq 1 iso 0 dist 8.77254 6.92437 4.66414 10.054 8.35971 11.5798 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 6.83152 8.28643 10.1427 10.8336 6.57393 16.4383 numMergedOcc 0
43 mol 238 unq 1 iso 0 dist 5.24313 8.28643 5.71717 12.1448 7.31233 10.1172 numMergedOcc 0
44 mol 239 unq 0 iso 0 dist 6.37342 7.69491 10.6736 5.29737 6.16342 6.73665 numMergedOcc 0
45 mol 248 unq 0 iso 0 dist 8.71859 7.90773 4.58289 4.53213 7.69895 9.05018 numMergedOcc 0
46 mol 248 unq 1 iso 0 dist 8.71859 7.90773 4.58289 6.33032 7.21521 9.33962 numMergedOcc 0
47 mol 248 unq 2 iso 0 dist 8.71859 7.90773 4.58289 11.762 8.2965 11.4547 numMergedOcc 0
48 mol 252 unq 0 iso 0 dist 9.73021 4.54745 7.40852 16.5881 8.33025 13.1298 numMergedOcc 0
49 mol 252 unq 1 iso 0 dist 9.73021 4.54745 7.40852 12.5855 9.2288 10.5687 numMergedOcc 0
50 mol 252 unq 2 iso 0 dist 9.73021 4.54745 7.40852 5.26867 7.19638 7.15764 numMergedOcc 0
51 mol 277 unq 0 iso 0 dist 6.90434 8.18813 3.97543 13.2927 9.7748 12.1398 numMergedOcc 0
52 mol 279 unq 0 iso 0 dist 8.13489 8.16952 8.4236 5.51096 9.70696 11.6372 numMergedOcc 0
