0 mol 7 unq 0 iso 0 dist 7.11539 8.50044 14.3765 15.5773 9.97624 20.661 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 6.6691 9.23807 4.25774 7.03296 4.76018 7.13046 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 6.6691 9.52857 13.5371 7.03296 4.76018 14.6581 numMergedOcc 0
3 mol 12 unq 2 iso 0 dist 9.23807 6.6691 4.25774 7.03296 7.13046 4.76018 numMergedOcc 0
4 mol 12 unq 3 iso 0 dist 9.23807 9.52857 13.0686 7.03296 7.13046 14.6581 numMergedOcc 0
5 mol 12 unq 4 iso 0 dist 9.52857 6.6691 13.5371 14.8356 6.96422 19.7221 numMergedOcc 0
6 mol 12 unq 5 iso 0 dist 9.52857 9.23807 13.0686 14.8356 6.96422 19.2771 numMergedOcc 0
7 mol 17 unq 0 iso 0 dist 7.8304 5.74567 7.31113 9.90289 7.82406 9.877 numMergedOcc 0
8 mol 17 unq 1 iso 0 dist 5.74567 7.8304 7.31113 9.90289 9.877 7.82406 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 9.76351 5.72627 7.7277 14.7309 9.63599 15.9914 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 9.76351 5.72627 7.7277 11.7335 8.01743 12.5384 numMergedOcc 0
11 mol 79 unq 2 iso 0 dist 9.76351 7.68741 7.2005 14.7309 9.63599 12.6003 numMergedOcc 0
12 mol 79 unq 3 iso 0 dist 9.76351 7.68741 7.2005 11.7335 8.01743 13.5439 numMergedOcc 0
13 mol 79 unq 4 iso 0 dist 9.76351 9.86085 11.4869 14.7309 9.63599 18.3615 numMergedOcc 0
14 mol 79 unq 5 iso 0 dist 9.76351 9.86085 11.4869 11.7335 8.01743 18.1613 numMergedOcc 0
15 mol 128 unq 0 iso 0 dist 9.05678 8.73383 10.8727 5.53962 7.75012 6.98158 numMergedOcc 0
16 mol 128 unq 1 iso 0 dist 8.73383 9.05678 10.8727 5.53962 6.98158 7.75012 numMergedOcc 0
17 mol 130 unq 0 iso 0 dist 7.7461 9.53985 6.43265 8.88349 6.90634 11.8669 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 8.81111 5.66405 6.59975 15.0866 7.31037 13.4855 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 8.75305 5.13522 6.12113 12.3219 7.30946 11.3161 numMergedOcc 0
20 mol 174 unq 0 iso 0 dist 7.54918 8.39178 4.17687 5.2323 7.47932 10.1869 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 9.2933 8.77781 9.53592 14.0045 5.97685 13.5221 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 9.2933 8.77781 9.53592 17.8726 8.9289 14.5372 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.49129 6.80544 6.25098 5.05275 8.90076 6.62002 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 9.49129 6.80544 6.25098 15.0682 6.87131 9.69818 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 9.49129 6.80544 6.25098 13.1727 8.09718 6.73446 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 6.80544 9.49129 6.25098 5.05275 6.62002 8.90076 numMergedOcc 0
27 mol 238 unq 4 iso 0 dist 6.80544 9.49129 6.25098 15.0682 9.69818 6.87131 numMergedOcc 0
28 mol 238 unq 5 iso 0 dist 6.80544 9.49129 6.25098 13.1727 6.73446 8.09718 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 8.87182 5.95622 11.3911 4.81796 7.02079 5.88802 numMergedOcc 0
30 mol 239 unq 1 iso 0 dist 8.99609 8.09656 7.79338 4.47004 8.08764 9.7086 numMergedOcc 0
31 mol 239 unq 2 iso 0 dist 8.99609 8.09656 7.79338 7.14566 9.01462 12.6243 numMergedOcc 0
32 mol 239 unq 3 iso 0 dist 5.95622 8.87182 11.3911 4.81796 5.88802 7.02079 numMergedOcc 0
33 mol 273 unq 0 iso 0 dist 9.16554 8.83491 9.36595 8.67797 8.68913 10.5134 numMergedOcc 0
34 mol 273 unq 1 iso 0 dist 8.83491 9.16554 9.36595 13.2599 8.85779 10.8919 numMergedOcc 0
