0 mol 19 unq 0 iso 0 dist 6.41045 7.64353 4.51865 10.26 6.20943 4.69858 11.8683 6.74265 8.58657 10.7418 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.80897 12.8257 8.34347 11.1917 6.73162 7.23546 14.3799 11.887 9.16962 15.0652 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.37225 8.70636 8.34347 6.0365 6.73162 7.23546 14.0874 11.887 9.16962 15.0652 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 9.83775 13.0222 7.71095 9.25208 8.24062 5.3525 11.7128 5.33688 6.71911 6.5096 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 8.4143 13.7926 9.78528 7.14908 9.02278 11.6894 13.3803 6.11922 7.321 13.4823 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 9.22737 12.9061 7.47343 10.2716 7.75343 15.209 16.7847 10.1589 8.72704 16.0363 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 10.8105 7.76729 10.7942 12.6726 6.09023 9.66954 12.4065 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 7.9258 10.9791 9.33865 10.8105 7.76729 10.7942 13.8918 10.2377 7.64585 6.40036 numMergedOcc 0
8 mol 115 unq 2 iso 0 dist 7.9258 4.75197 5.83991 10.8105 7.76729 10.9739 12.6726 6.09023 8.66155 12.4065 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 5.20775 4.93785 6.7991 16.2084 9.53462 7.98142 12.2455 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 7.7544 10.8374 7.81386 5.20775 4.93785 6.7991 16.714 11.1462 7.37327 11.691 numMergedOcc 0
11 mol 209 unq 0 iso 0 dist 9.62543 8.42394 7.56373 12.5973 9.52027 6.43758 13.3913 7.19056 7.95911 11.5217 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 9.92165 12.7439 8.85478 4.40728 6.97182 8.47007 15.621 6.67959 7.46831 11.7443 numMergedOcc 0
13 mol 214 unq 1 iso 0 dist 9.92165 12.7439 8.85478 5.75872 6.1175 12.8334 15.621 6.67959 7.46831 12.7646 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 7.49783 12.8561 8.95269 4.76056 7.06793 9.36098 9.89345 7.98696 6.87664 8.89778 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 7.49783 12.8561 8.95269 10.7068 6.67585 5.29877 9.89345 7.98696 6.87664 9.47554 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 6.43546 5.54495 7.00034 10.9732 7.20082 7.04058 8.64747 6.26168 7.39747 6.34801 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 6.43546 5.54495 7.00034 10.9732 7.20082 7.04058 5.91933 5.39146 8.1777 9.95595 numMergedOcc 0
18 mol 282 unq 0 iso 0 dist 7.71088 5.86383 8.04483 6.7858 8.8673 10.1236 10.5569 6.3384 6.85028 13.4504 numMergedOcc 0
19 mol 282 unq 1 iso 0 dist 7.71088 7.46064 6.33524 6.7858 8.8673 7.36881 10.5569 6.3384 7.32347 13.4504 numMergedOcc 0
