0 mol 16 unq 0 iso 0 dist 8.46837 11.958 8.33883 9.36191 8.63347 4.65873 11.8413 5.38671 5.05803 6.57331 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.46837 11.958 8.33883 9.36191 8.63347 4.65873 9.59856 5.45161 6.31718 8.43054 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.17472 5.3372 6.87871 5.26203 9.45239 9.36867 13.0456 8.95909 9.24927 16.5571 numMergedOcc 0
3 mol 130 unq 0 iso 0 dist 8.26291 10.9365 7.83619 12.9175 8.15289 10.4339 13.2314 10.0837 9.28393 17.041 numMergedOcc 0
4 mol 130 unq 1 iso 0 dist 7.86001 5.63567 7.83619 6.65871 8.15289 10.4339 12.6804 10.0837 9.28393 17.041 numMergedOcc 0
5 mol 152 unq 0 iso 0 dist 8.84852 9.50073 9.10619 8.21842 8.78112 4.84714 15.3848 9.66339 8.56324 8.9192 numMergedOcc 0
6 mol 152 unq 1 iso 0 dist 8.84852 9.50073 9.10619 8.21842 8.78112 4.84714 16.0753 13.9994 6.70283 9.27706 numMergedOcc 0
7 mol 152 unq 2 iso 0 dist 8.84852 9.50073 9.10619 8.21842 8.78112 4.84714 16.0158 14.2552 7.16148 11.6735 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 8.39634 9.72213 9.00898 8.81502 8.87876 5.57734 13.5463 5.96451 9.29945 10.8463 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 4.3362 9.20027 7.31105 4.14896 7.27248 9.9903 17.1012 14.6296 9.23153 16.568 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 4.3362 9.20027 7.31105 4.14896 7.27248 9.9903 13.6374 9.52692 8.24498 15.7019 numMergedOcc 0
11 mol 230 unq 0 iso 0 dist 5.00735 6.33989 8.43766 5.01206 7.8356 10.1197 5.62804 7.07028 6.7547 10.5257 numMergedOcc 0
12 mol 230 unq 1 iso 0 dist 9.27643 6.63414 8.43766 13.7738 7.8356 10.1197 10.8539 7.07028 6.7547 10.5257 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 4.21935 4.77446 6.37342 8.15025 7.69491 10.6736 6.83046 5.29737 6.16342 6.73665 numMergedOcc 0
14 mol 252 unq 0 iso 0 dist 8.04265 14.8036 9.73021 7.44658 4.54745 7.40852 19.1239 16.5881 8.33025 13.1298 numMergedOcc 0
15 mol 252 unq 1 iso 0 dist 8.04265 14.8036 9.73021 7.44658 4.54745 7.40852 15.1557 12.5855 9.2288 10.5687 numMergedOcc 0
16 mol 252 unq 2 iso 0 dist 8.04265 14.8036 9.73021 7.44658 4.54745 7.40852 13.0796 5.26867 7.19638 7.15764 numMergedOcc 0
17 mol 252 unq 3 iso 0 dist 9.42193 14.864 9.73021 8.846 4.54745 7.40852 20.6773 16.5881 8.33025 13.1298 numMergedOcc 0
18 mol 252 unq 4 iso 0 dist 9.42193 14.864 9.73021 8.846 4.54745 7.40852 19.2417 12.5855 9.2288 10.5687 numMergedOcc 0
19 mol 252 unq 5 iso 0 dist 9.42193 14.864 9.73021 8.846 4.54745 7.40852 13.4304 5.26867 7.19638 7.15764 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.42812 16.2915 6.90434 17.13 8.18813 3.97543 20.3589 13.2927 9.7748 12.1398 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 8.66917 5.31331 8.13489 6.23517 8.16952 8.4236 12.6214 5.51096 9.70696 11.6372 numMergedOcc 0
