0 mol 8 unq 0 iso 0 dist 9.00925 8.68949 16.2669 4.36784 9.66021 12.3971 10.8849 19.557 9.42634 11.4372 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.38928 9.40644 8.74683 6.39496 8.40971 14.1606 8.12843 12.6567 7.33788 14.2731 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 7.38928 9.40644 8.74683 6.39496 8.40971 14.1606 9.72202 14.8248 9.74351 14.6657 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 7.38928 9.40644 8.74683 6.39496 8.40971 14.1606 12.7252 15.3951 7.36877 18.299 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 7.38928 5.35252 5.03338 6.39496 8.40971 8.80801 8.12843 12.6567 8.52681 14.2731 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 7.38928 5.35252 5.03338 6.39496 8.40971 8.80801 9.72202 14.8248 9.98769 14.6657 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 6.01454 9.53081 5.41488 13.2371 8.96621 11.4224 15.1442 9.77004 7.90416 7.84827 numMergedOcc 0
7 mol 48 unq 6 iso 0 dist 6.01454 9.53081 5.41488 13.2371 8.96621 11.4224 4.89976 8.36323 9.74553 14.1465 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 7.02854 5.73235 5.22567 12.6371 9.45905 12.7637 5.50078 10.0184 9.50939 10.8074 numMergedOcc 0
9 mol 90 unq 0 iso 0 dist 6.6146 9.06641 5.12529 6.63999 9.46251 12.3131 4.77556 5.28331 7.01987 10.8515 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.07294 5.79195 5.35551 11.7194 8.60913 12.1981 4.37065 11.2252 8.98028 12.0402 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 7.50126 9.2759 5.35551 11.2716 8.60913 12.1981 15.7191 11.2252 8.98028 12.0402 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 9.71692 9.18753 11.8278 11.2206 6.58752 13.2422 8.03052 14.9179 9.0735 13.2009 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 9.73708 9.15244 11.6537 11.1844 6.62442 13.1275 8.06512 14.9398 9.03593 13.2057 numMergedOcc 0
14 mol 165 unq 0 iso 0 dist 8.2197 7.21397 10.5947 13.2511 5.5411 16.0639 6.22764 4.63353 8.00005 9.38939 numMergedOcc 0
15 mol 183 unq 0 iso 0 dist 7.69421 8.97652 9.01399 6.26917 9.59741 9.01322 14.3669 17.4248 8.69656 13.683 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.59937 7.58554 5.94643 10.6145 9.05655 11.2673 10.9079 11.1939 5.4687 15.3621 numMergedOcc 0
17 mol 282 unq 0 iso 0 dist 8.61456 5.00258 9.80233 4.44911 9.8362 8.79823 4.4471 11.9006 7.21879 3.71871 numMergedOcc 0
18 mol 282 unq 1 iso 0 dist 8.61456 9.98886 4.68809 4.44911 9.8362 12.4603 12.5442 13.4825 9.60384 16.0512 numMergedOcc 0
19 mol 282 unq 2 iso 0 dist 8.41041 8.22117 9.80233 9.11051 9.8362 8.79823 10.1631 11.9006 7.21879 3.71871 numMergedOcc 0
20 mol 282 unq 3 iso 0 dist 8.41041 6.81887 4.68809 9.11051 9.8362 12.4603 7.00145 13.4825 9.60384 16.0512 numMergedOcc 0
