0 mol 34 unq 0 iso 0 dist 9.06898 11.2894 9.58596 8.8197 5.31195 9.36424 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 6.64721 7.75417 7.56029 12.804 9.95354 5.52067 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 9.36169 6.70837 7.56029 11.0591 9.95354 5.52067 numMergedOcc 0
3 mol 74 unq 0 iso 0 dist 7.0427 7.42971 7.94725 12.8213 8.22956 8.2657 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 9.43355 3.74136 7.8435 5.77804 12.1673 7.85041 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 5.64141 3.74136 5.99269 5.77804 7.30779 7.85041 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 5.46186 3.74136 5.71763 5.77804 9.18194 7.85041 numMergedOcc 0
7 mol 105 unq 0 iso 0 dist 9.84347 12.571 7.44838 13.4147 4.67929 7.20953 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 5.80831 8.169 5.43933 13.1333 8.36589 7.82011 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 8.73613 5.78019 9.43989 7.9061 11.4653 5.1101 numMergedOcc 0
10 mol 147 unq 1 iso 0 dist 8.73613 5.78019 9.43989 4.48898 7.68412 7.01133 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 6.68721 4.19444 6.11331 7.63085 9.88872 6.39981 numMergedOcc 0
12 mol 159 unq 0 iso 0 dist 9.31829 6.02267 6.07821 10.0112 4.27525 7.13269 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 5.4647 6.72936 8.25282 8.71031 5.88866 5.98771 numMergedOcc 0
14 mol 182 unq 0 iso 0 dist 7.75041 6.38456 7.88014 6.76894 6.81586 8.89822 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.22792 7.74227 7.04815 10.8278 5.93479 7.94153 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 5.00402 7.74227 6.07389 10.8278 5.86306 7.94153 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 7.9002 8.96094 9.87668 10.5309 13.317 7.29542 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 9.42801 7.38159 9.11454 9.78353 4.47008 9.31673 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 6.66615 5.50333 7.14086 10.7464 9.04569 9.42738 numMergedOcc 0
20 mol 273 unq 0 iso 0 dist 7.05843 7.43418 5.4307 9.75973 4.42663 6.94131 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 5.35326 4.81143 5.8304 10.7792 6.25207 8.23056 numMergedOcc 0
