0 mol 53 unq 0 iso 0 dist 7.57267 9.99188 10.2172 10.2062 12.5004 7.09169 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 7.52742 8.64047 14.8764 13.4816 20.7918 8.00777 numMergedOcc 0
2 mol 85 unq 1 iso 0 dist 7.52742 8.64047 14.8764 12.1235 18.8178 7.1589 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 5.27541 7.46327 3.74136 12.3373 10.4641 9.81831 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 5.27541 7.46327 3.74136 11.6592 11.1217 9.12858 numMergedOcc 0
5 mol 93 unq 2 iso 0 dist 5.27541 7.46327 3.74136 6.09816 9.10877 9.4523 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 9.86236 9.70095 13.1465 5.06206 9.62218 7.12017 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 5.68841 8.28541 9.30538 4.41283 7.42431 7.71107 numMergedOcc 0
8 mol 178 unq 0 iso 0 dist 7.55683 8.56251 6.72936 4.51874 7.14849 4.92088 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 5.52744 9.67802 7.74227 18.5326 17.566 9.83476 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 6.23859 9.18314 10.2999 7.37734 11.7288 9.83476 numMergedOcc 0
11 mol 196 unq 0 iso 0 dist 9.5972 9.6115 14.0013 4.99883 9.56728 5.85777 numMergedOcc 0
12 mol 196 unq 1 iso 0 dist 5.6789 5.89229 3.93821 4.33607 9.56728 8.20691 numMergedOcc 0
13 mol 196 unq 2 iso 0 dist 5.6789 9.30663 14.0013 4.33607 9.56728 5.85777 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 9.06541 7.44979 6.7132 10.4409 5.5581 8.0144 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 9.06541 7.44979 6.7132 11.4774 13.2962 7.80841 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 8.39627 9.08573 8.22473 5.37535 5.99187 5.64181 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 8.39627 9.08573 8.22473 4.14233 9.93378 7.61393 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 5.06731 6.69569 9.46764 15.9188 19.0742 9.74402 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 5.06731 6.69569 9.46764 15.9188 19.0742 9.74402 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 5.06731 6.69569 9.46764 15.9188 19.0742 9.74402 numMergedOcc 0
