0 mol 18 unq 0 iso 0 dist 7.9504 8.02671 6.27642 5.867 8.93025 10.984 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 7.9504 6.09533 5.816 5.867 8.93025 8.09187 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.05728 8.572 9.60669 6.43732 9.38206 14.4991 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.61357 4.90216 9.95453 4.07863 8.10708 7.92479 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 8.61357 9.84217 5.6003 4.07863 8.10708 7.86646 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 5.73908 5.57551 5.08181 3.89794 8.18002 9.34293 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 5.73908 5.57551 5.08181 9.05937 7.07032 11.4724 numMergedOcc 0
7 mol 68 unq 2 iso 0 dist 6.77421 5.57551 8.41751 3.89794 9.01261 9.34293 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.37819 8.14427 5.63423 6.68925 6.00131 10.7166 numMergedOcc 0
9 mol 99 unq 0 iso 0 dist 8.44207 7.80019 14.4323 11.0363 9.46619 17.3672 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 7.22737 6.67863 4.4529 9.59696 7.43143 8.35515 numMergedOcc 0
11 mol 116 unq 0 iso 0 dist 7.67429 8.50194 8.53743 4.6158 9.66069 6.28029 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 9.21476 8.76449 9.03848 5.81847 9.6818 12.9545 numMergedOcc 0
13 mol 147 unq 1 iso 0 dist 9.21476 8.36182 5.58015 5.81847 9.6818 11.2486 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 8.40718 8.29256 13.1706 7.96412 9.01377 13.5575 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 8.40718 7.8274 5.79978 7.96412 9.01377 11.4791 numMergedOcc 0
16 mol 215 unq 0 iso 0 dist 5.92204 9.25387 4.31172 6.66087 7.60635 11.7717 numMergedOcc 0
17 mol 217 unq 0 iso 0 dist 8.72578 8.99517 12.1223 6.00114 5.60554 11.9291 numMergedOcc 0
18 mol 217 unq 1 iso 0 dist 8.80103 8.99517 5.32856 9.52898 7.89936 12.5675 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 9.26313 8.69334 7.27142 4.52208 9.88216 7.58569 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 5.76796 6.73396 4.57431 5.49583 7.61398 9.74003 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 6.90956 9.1471 6.33641 4.26276 8.40198 7.77225 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 6.90956 9.1471 6.33641 9.92609 9.95761 15.7293 numMergedOcc 0
23 mol 287 unq 2 iso 0 dist 6.90956 7.84189 12.0298 4.26276 8.40198 5.50067 numMergedOcc 0
24 mol 287 unq 3 iso 0 dist 6.90956 7.84189 12.0298 9.92609 9.95761 17.2289 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 6.90956 9.1471 6.33641 4.26276 8.40198 7.77225 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 6.90956 9.1471 6.33641 9.92609 9.95761 15.7293 numMergedOcc 0
27 mol 288 unq 2 iso 0 dist 6.90956 7.84189 12.0298 4.26276 8.40198 5.50067 numMergedOcc 0
28 mol 288 unq 3 iso 0 dist 6.90956 7.84189 12.0298 9.92609 9.95761 17.2289 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 6.90956 9.1471 6.33641 4.26276 8.40198 7.77225 numMergedOcc 0
30 mol 289 unq 1 iso 0 dist 6.90956 9.1471 6.33641 9.92609 9.95761 15.7293 numMergedOcc 0
31 mol 289 unq 2 iso 0 dist 6.90956 7.84189 12.0298 4.26276 8.40198 5.50067 numMergedOcc 0
32 mol 289 unq 3 iso 0 dist 6.90956 7.84189 12.0298 9.92609 9.95761 17.2289 numMergedOcc 0
