0 mol 20 unq 0 iso 0 dist 7.16149 13.457 6.86736 15.8767 9.0017 5.51967 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 7.16149 11.3821 8.17383 15.8767 9.0017 9.92805 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 9.4228 8.96335 8.67928 16.7341 9.74724 17.0937 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 9.4228 8.96335 8.67928 14.3516 9.13347 15.9137 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 9.27081 9.4211 7.8729 9.75637 8.28218 14.7562 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 9.27081 9.4211 7.8729 6.56837 8.10811 7.75822 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 9.32771 6.52881 7.43769 7.89865 5.31095 5.85737 numMergedOcc 0
7 mol 45 unq 1 iso 0 dist 9.32771 10.2374 5.2315 7.89865 5.31095 3.61653 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 9.18809 10.0743 9.59959 10.9724 8.32093 3.56619 numMergedOcc 0
9 mol 68 unq 1 iso 0 dist 9.18809 6.20057 9.33762 10.9724 8.32093 6.23171 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 8.99376 15.5623 7.77766 13.2837 5.16779 3.57191 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 5.82487 9.76608 5.9758 11.6076 8.46167 13.5955 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 5.82487 9.76608 5.9758 7.84907 6.13175 11.746 numMergedOcc 0
13 mol 113 unq 2 iso 0 dist 5.82487 9.76608 5.9758 4.11536 4.34107 9.9322 numMergedOcc 0
14 mol 182 unq 0 iso 0 dist 9.07173 9.81003 9.48378 6.1548 8.58391 3.73864 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 5.62219 5.85636 8.37183 5.29041 9.41473 5.63245 numMergedOcc 0
16 mol 210 unq 1 iso 0 dist 5.62219 7.67559 6.6588 5.29041 9.41473 12.1701 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 9.0813 9.42172 8.19003 13.9138 8.46558 15.8602 numMergedOcc 0
18 mol 230 unq 1 iso 0 dist 9.0813 9.42172 8.19003 14.6682 9.96417 11.7755 numMergedOcc 0
19 mol 230 unq 2 iso 0 dist 9.0813 9.42172 8.19003 15.1309 9.28671 8.76971 numMergedOcc 0
20 mol 230 unq 3 iso 0 dist 5.94606 6.17246 8.19003 11.0218 8.46558 15.8602 numMergedOcc 0
21 mol 230 unq 4 iso 0 dist 5.94606 6.17246 8.19003 5.80474 9.96417 11.7755 numMergedOcc 0
22 mol 230 unq 5 iso 0 dist 5.94606 6.17246 8.19003 4.65404 9.28671 8.76971 numMergedOcc 0
23 mol 231 unq 0 iso 0 dist 7.31553 9.0443 8.68815 6.63423 5.45266 4.02097 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 7.48298 6.35641 7.89384 7.63636 9.84342 12.0443 numMergedOcc 0
25 mol 252 unq 1 iso 0 dist 7.48298 6.35641 7.89384 9.93981 8.63893 3.99887 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 7.98028 4.66802 5.96512 5.6683 8.27566 5.18533 numMergedOcc 0
27 mol 258 unq 1 iso 0 dist 5.8473 6.93678 5.96512 5.82277 8.27566 5.18533 numMergedOcc 0
28 mol 261 unq 0 iso 0 dist 9.00426 6.47519 9.53126 11.1348 7.8647 6.46193 numMergedOcc 0
29 mol 283 unq 0 iso 0 dist 8.25636 5.72887 7.36223 8.94298 9.74797 12.3984 numMergedOcc 0
30 mol 283 unq 1 iso 0 dist 8.25636 5.72887 7.36223 11.1503 9.90494 13.6429 numMergedOcc 0
