0 mol 7 unq 0 iso 0 dist 7.38748 5.13744 8.77133 6.22892 5.0893 6.36911 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.38748 5.13744 8.77133 14.5008 15.8567 9.36807 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.68949 6.88402 8.70858 6.92865 8.33226 8.99126 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 9.09251 7.88306 9.11751 11.2573 6.78983 9.29358 numMergedOcc 0
4 mol 42 unq 0 iso 0 dist 5.52834 6.79455 6.51963 8.52254 4.38082 7.41857 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 5.66803 10.0913 7.77991 12.0432 6.43864 9.80142 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 5.66803 5.68492 5.1488 5.54343 5.9853 8.68586 numMergedOcc 0
7 mol 64 unq 2 iso 0 dist 5.66803 5.68492 5.1488 12.0432 6.43864 9.54144 numMergedOcc 0
8 mol 64 unq 3 iso 0 dist 8.85416 8.21081 7.77991 9.99634 6.43864 9.80142 numMergedOcc 0
9 mol 64 unq 4 iso 0 dist 8.85416 11.6323 5.1488 13.7301 5.9853 8.68586 numMergedOcc 0
10 mol 64 unq 5 iso 0 dist 8.85416 11.6323 5.1488 9.99634 6.43864 9.54144 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 8.90896 13.1044 6.96647 5.79954 4.78435 8.70133 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 8.90896 13.1044 6.96647 12.8368 4.60412 5.64598 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 8.90896 13.1044 6.96647 10.4766 6.33833 4.65521 numMergedOcc 0
14 mol 87 unq 0 iso 0 dist 9.90256 7.62644 9.53368 5.26938 5.30415 7.51358 numMergedOcc 0
15 mol 87 unq 1 iso 0 dist 9.90256 7.62644 9.53368 8.91602 11.2095 8.32298 numMergedOcc 0
16 mol 87 unq 2 iso 0 dist 9.90256 10.8096 6.54532 5.26938 5.30415 8.93296 numMergedOcc 0
17 mol 87 unq 3 iso 0 dist 7.57471 5.5768 9.53368 6.8014 5.30415 7.51358 numMergedOcc 0
18 mol 87 unq 4 iso 0 dist 7.57471 5.5768 9.53368 11.835 11.2095 8.32298 numMergedOcc 0
19 mol 87 unq 5 iso 0 dist 7.57471 4.56692 6.54532 6.8014 5.30415 8.93296 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 6.54778 5.84883 6.06039 5.97879 5.0333 6.73814 numMergedOcc 0
21 mol 114 unq 1 iso 0 dist 8.57909 6.14032 6.06039 11.646 5.0333 6.73814 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.40718 10.602 9.23089 9.63295 5.32364 6.93764 numMergedOcc 0
23 mol 183 unq 0 iso 0 dist 8.97652 13.7069 8.55287 15.8269 6.89601 9.93083 numMergedOcc 0
24 mol 183 unq 1 iso 0 dist 8.97652 13.7069 8.55287 15.1 8.16006 7.01383 numMergedOcc 0
25 mol 188 unq 0 iso 0 dist 8.1907 9.12244 6.02957 13.843 6.90449 6.90541 numMergedOcc 0
26 mol 198 unq 0 iso 0 dist 9.64195 9.9268 9.3526 13.5978 6.51118 7.21533 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 7.03925 11.3098 7.26162 13.3678 8.00193 8.19953 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 6.23677 6.78713 9.89345 12.2287 12.8561 6.87664 numMergedOcc 0
29 mol 224 unq 2 iso 0 dist 9.04741 10.2748 9.89345 16.6527 12.8561 6.87664 numMergedOcc 0
30 mol 224 unq 3 iso 0 dist 7.31608 7.09867 9.89345 12.7763 12.8561 6.87664 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 8.46734 9.64214 8.64747 11.9377 5.54495 7.39747 numMergedOcc 0
32 mol 239 unq 1 iso 0 dist 8.46734 5.91397 5.91933 11.9377 5.54495 8.1777 numMergedOcc 0
33 mol 243 unq 0 iso 0 dist 4.64178 10.8902 8.75924 10.6524 7.07529 8.61104 numMergedOcc 0
34 mol 243 unq 1 iso 0 dist 9.16988 5.83664 8.75924 12.2736 7.07529 8.61104 numMergedOcc 0
