0 mol 79 unq 0 iso 0 dist 9.94646 4.9889 9.15081 8.17687 7.18166 7.20211 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.11791 3.91176 9.61144 13.0136 13.5622 9.99441 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 8.98691 5.9335 8.0675 10.5121 3.94084 8.75345 numMergedOcc 0
3 mol 105 unq 0 iso 0 dist 9.44567 6.52143 9.84347 12.8483 9.34708 9.17843 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 7.91934 7.60323 5.80831 8.59002 4.03471 6.96745 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 6.55143 6.82908 4.54218 13.053 6.90735 7.92216 numMergedOcc 0
6 mol 141 unq 1 iso 0 dist 4.35548 6.82908 8.36316 13.053 13.0345 7.92216 numMergedOcc 0
7 mol 141 unq 2 iso 0 dist 7.5024 10.0459 8.36316 17.4276 13.0345 7.92216 numMergedOcc 0
8 mol 146 unq 0 iso 0 dist 8.64781 13.2008 6.76896 8.82192 3.75935 7.78784 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 5.54887 8.58664 9.22792 7.49839 5.44287 5.67168 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 5.54887 6.419 7.85696 7.49839 5.44287 7.74579 numMergedOcc 0
11 mol 186 unq 2 iso 0 dist 5.54887 6.27088 5.00402 9.31068 5.7782 8.36129 numMergedOcc 0
12 mol 186 unq 3 iso 0 dist 5.54887 6.27088 5.00402 7.49839 5.44287 5.86483 numMergedOcc 0
13 mol 213 unq 0 iso 0 dist 8.22702 6.86914 5.81317 13.4355 6.49084 7.90657 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 9.41577 16.4604 8.79662 14.0189 5.03056 5.72 numMergedOcc 0
15 mol 222 unq 1 iso 0 dist 9.41577 12.4544 6.6497 14.0189 5.03056 6.84052 numMergedOcc 0
16 mol 222 unq 2 iso 0 dist 9.41577 12.4544 6.6497 11.9365 3.91348 9.58086 numMergedOcc 0
17 mol 233 unq 0 iso 0 dist 8.08007 8.76165 9.79864 11.2143 5.47357 9.01338 numMergedOcc 0
18 mol 264 unq 0 iso 0 dist 9.17189 10.0046 6.66615 15.3321 10.1533 9.78237 numMergedOcc 0
19 mol 264 unq 1 iso 0 dist 9.17189 10.0046 6.66615 17.959 9.72258 9.70101 numMergedOcc 0
20 mol 264 unq 2 iso 0 dist 9.17189 10.0046 6.66615 18.2579 12.1475 9.95798 numMergedOcc 0
