0 mol 24 unq 0 iso 0 dist 9.40479 4.90592 6.99746 4.21283 13.1457 7.85986 9.65174 13.3652 9.63925 8.25818 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.38831 9.36461 6.99746 15.6099 13.1457 7.85986 11.5255 13.3652 9.63925 8.25818 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.58012 4.90592 11.8996 4.21283 8.56274 7.85986 9.65174 6.79749 9.63925 8.25818 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.63361 6.15801 5.89577 4.06864 10.207 8.0991 6.29842 4.465 6.35031 6.38866 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 8.63361 6.15801 5.89577 5.9339 13.8182 9.95093 9.31883 14.9872 9.92713 9.48125 numMergedOcc 0
5 mol 34 unq 2 iso 0 dist 8.63361 9.63403 6.62645 4.06864 10.207 8.80175 6.29842 4.465 5.50427 6.38866 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.03028 8.57827 12.6909 5.19513 12.8633 9.22418 7.87729 13.3357 4.15826 8.55237 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 7.39754 8.57827 15.1698 5.19513 11.5712 9.22418 7.87729 13.7136 4.15826 8.55237 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 7.76594 5.44303 5.67023 9.93041 4.48699 8.47526 9.58379 4.9293 4.60864 7.53342 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 7.76594 5.39061 5.66194 4.9293 9.58379 7.84546 4.48699 9.93041 4.94367 7.53342 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 8.93453 9.78667 9.21506 11.2139 9.0233 4.92382 8.88454 5.50466 3.80087 4.88514 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 5.73236 6.95372 5.99865 5.42311 7.22 7.2932 5.66207 7.87644 4.5497 4.3855 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 7.55358 7.46987 13.1254 9.28201 16.601 8.72743 16.4753 23.8511 14.2269 7.25595 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 7.55358 7.46987 13.1254 9.28201 16.601 8.72743 13.494 18.4088 9.76301 9.94825 numMergedOcc 0
14 mol 186 unq 2 iso 0 dist 7.60991 7.46987 8.74186 9.28201 15.3973 8.72743 16.4753 21.9921 14.2269 7.25595 numMergedOcc 0
15 mol 186 unq 3 iso 0 dist 7.60991 7.46987 8.74186 9.28201 15.3973 8.72743 13.494 17.0079 9.76301 9.94825 numMergedOcc 0
16 mol 193 unq 0 iso 0 dist 5.44396 8.43187 10.6169 5.43768 10.3541 6.21262 11.2075 15.0477 11.4882 8.30069 numMergedOcc 0
17 mol 193 unq 1 iso 0 dist 5.44396 8.43187 10.6169 5.43768 10.3541 6.21262 10.3286 12.6212 9.7301 8.83551 numMergedOcc 0
18 mol 193 unq 2 iso 0 dist 6.22972 8.43187 5.56664 5.43768 7.06636 6.21262 11.2075 10.128 11.4882 8.30069 numMergedOcc 0
19 mol 193 unq 3 iso 0 dist 6.22972 8.43187 5.56664 5.43768 7.06636 6.21262 10.3286 6.936 9.7301 8.83551 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 5.52678 6.37788 5.92931 8.68259 12.7017 8.43182 5.13892 7.82899 3.7326 5.10542 numMergedOcc 0
21 mol 194 unq 1 iso 0 dist 5.52678 6.37788 5.92931 8.68259 12.7017 8.43182 5.78717 10.0237 7.29209 4.68722 numMergedOcc 0
22 mol 194 unq 2 iso 0 dist 9.81666 8.7028 5.92931 9.38176 12.7017 8.43182 8.2232 7.82899 3.7326 5.10542 numMergedOcc 0
23 mol 194 unq 3 iso 0 dist 9.81666 8.7028 5.92931 9.38176 12.7017 8.43182 10.3448 10.0237 7.29209 4.68722 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 8.3149 7.99521 7.16782 5.42399 11.0937 6.49413 4.64695 4.05076 7.28821 8.62655 numMergedOcc 0
25 mol 260 unq 1 iso 0 dist 8.3149 7.99521 7.16782 10.39 12.6218 6.12343 11.3234 8.36574 3.60349 7.04263 numMergedOcc 0
26 mol 260 unq 2 iso 0 dist 8.3149 7.99521 7.16782 9.79316 9.33382 4.52405 11.3234 8.36574 3.60349 6.48099 numMergedOcc 0
