0 mol 26 unq 0 iso 0 dist 6.93801 10.7786 8.42581 6.61393 7.90721 5.11733 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 7.89705 6.26099 5.52067 6.02913 7.56029 9.95354 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 6.78356 12.7981 8.98797 11.5077 5.07125 6.43007 numMergedOcc 0
3 mol 74 unq 0 iso 0 dist 9.4866 7.67374 4.79413 7.39752 6.3567 5.38404 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 4.66377 6.00832 8.69209 8.26803 9.86664 5.55865 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 8.99731 7.97477 9.9928 6.3642 8.4965 13.2709 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 4.85559 5.53247 6.42785 7.12852 6.5739 11.4437 numMergedOcc 0
7 mol 130 unq 1 iso 0 dist 6.87562 11.1141 6.42785 3.79867 6.5739 11.4437 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 6.31314 7.06802 7.53158 5.93188 9.82982 12.9875 numMergedOcc 0
9 mol 154 unq 1 iso 0 dist 6.31314 6.88913 7.43407 5.93188 9.82982 11.8727 numMergedOcc 0
10 mol 158 unq 0 iso 0 dist 7.24115 8.52244 6.39981 4.87865 6.11331 9.88872 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 8.63008 8.91682 9.77862 5.39223 5.53324 8.31541 numMergedOcc 0
12 mol 194 unq 1 iso 0 dist 8.63008 8.91682 9.77862 11.8568 6.72182 6.72001 numMergedOcc 0
13 mol 195 unq 0 iso 0 dist 5.46768 6.76675 9.79691 4.79025 6.34234 10.5776 numMergedOcc 0
14 mol 195 unq 1 iso 0 dist 5.46768 6.76675 9.79691 6.01032 7.87972 4.18074 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 9.05206 15.4215 6.4829 4.86533 9.14831 15.1464 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 7.00547 11.1704 7.95883 8.94002 9.22269 5.65395 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 9.33735 9.78356 9.20589 13.5696 5.28771 9.08701 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 9.33735 6.0465 7.89801 13.5696 5.28771 12.0749 numMergedOcc 0
19 mol 237 unq 0 iso 0 dist 7.68769 5.18559 7.35569 12.2324 8.7414 9.99177 numMergedOcc 0
20 mol 250 unq 0 iso 0 dist 5.43238 7.01289 9.03319 5.17779 6.93875 5.66205 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 8.84798 14.1561 8.23056 14.4305 5.8304 6.25207 numMergedOcc 0
22 mol 279 unq 1 iso 0 dist 8.84798 14.1561 8.23056 6.08238 7.37478 10.8722 numMergedOcc 0
23 mol 284 unq 0 iso 0 dist 5.68818 9.65436 8.27054 14.1802 9.07503 9.97692 numMergedOcc 0
24 mol 284 unq 1 iso 0 dist 5.68818 9.65436 8.27054 11.9492 7.63256 10.6148 numMergedOcc 0
