0 mol 7 unq 0 iso 0 dist 9.8603 13.8384 5.72491 16.2118 7.12508 8.15894 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 10.3237 7.88043 16.4746 12.8323 8.15894 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.51421 13 8.80762 16.4746 12.8323 8.45544 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.11056 5.36722 6.72502 10.4056 5.11636 8.24948 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.7522 14.6525 8.44506 9.90986 7.11305 6.38243 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 6.88695 6.29311 5.69955 9.63803 8.25132 6.73167 numMergedOcc 0
6 mol 26 unq 2 iso 0 dist 6.88695 6.29311 5.69955 11.2097 4.94205 7.40948 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.9747 8.89866 7.26086 8.3505 3.9764 8.75597 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 4.50572 7.87523 7.26086 8.32269 3.9764 8.75597 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 4.99966 5.71094 9.44561 4.49975 4.65519 6.46343 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 5.02717 4.92962 5.72642 6.31773 5.03039 8.4965 numMergedOcc 0
11 mol 126 unq 0 iso 0 dist 8.32241 5.93497 9.46588 12.9831 10.7549 8.66815 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 7.81337 6.99491 9.29384 10.6762 12.6005 6.78801 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 9.92932 8.2282 8.20836 14.4662 16.4114 8.48313 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 9.92932 8.2282 8.20836 14.5777 12.8086 6.99345 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 9.92932 8.2282 8.20836 12.3555 7.41373 5.11043 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 9.60369 4.02705 7.36779 10.2498 14.2036 8.48313 numMergedOcc 0
17 mol 134 unq 4 iso 0 dist 9.60369 4.02705 7.36779 10.6236 10.092 6.99345 numMergedOcc 0
18 mol 134 unq 5 iso 0 dist 9.60369 4.02705 7.36779 8.78303 4.46337 5.11043 numMergedOcc 0
19 mol 134 unq 6 iso 0 dist 9.55556 4.02705 8.20836 10.2498 16.4114 8.48313 numMergedOcc 0
20 mol 134 unq 7 iso 0 dist 9.55556 4.02705 8.20836 10.6236 12.8086 6.99345 numMergedOcc 0
21 mol 134 unq 8 iso 0 dist 9.55556 4.02705 8.20836 8.78303 7.41373 5.11043 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 8.30654 5.82537 7.25673 12.027 4.78563 8.612 numMergedOcc 0
23 mol 159 unq 0 iso 0 dist 7.97007 6.23157 7.25742 10.0117 4.48323 6.07821 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 8.03995 9.52773 9.83476 15.8489 13.6744 7.04815 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 8.03995 9.52773 9.83476 13.9614 15.0914 6.07389 numMergedOcc 0
26 mol 195 unq 0 iso 0 dist 7.63036 6.90444 6.60567 10.6446 5.41635 6.34234 numMergedOcc 0
27 mol 195 unq 1 iso 0 dist 7.63036 6.90444 6.60567 14.1607 11.9954 7.87972 numMergedOcc 0
28 mol 207 unq 0 iso 0 dist 9.18896 12.5598 7.96797 12.034 4.56899 8.78061 numMergedOcc 0
29 mol 212 unq 0 iso 0 dist 5.87223 6.8255 6.29767 5.03184 3.9436 5.50658 numMergedOcc 0
30 mol 212 unq 1 iso 0 dist 5.87223 8.90296 8.74585 5.03184 3.9436 9.22129 numMergedOcc 0
31 mol 212 unq 2 iso 0 dist 8.062 11.009 6.29767 11.3822 3.9436 5.50658 numMergedOcc 0
32 mol 212 unq 3 iso 0 dist 8.062 12.2246 8.74585 11.3822 3.9436 9.22129 numMergedOcc 0
33 mol 212 unq 4 iso 0 dist 8.70011 8.66123 6.29767 9.54676 3.9436 5.50658 numMergedOcc 0
34 mol 212 unq 5 iso 0 dist 8.70011 12.2545 8.74585 9.54676 3.9436 9.22129 numMergedOcc 0
35 mol 218 unq 0 iso 0 dist 7.0843 13.9605 8.86175 9.59582 3.8877 8.04838 numMergedOcc 0
36 mol 218 unq 1 iso 0 dist 7.73315 13.9605 6.29511 9.59582 6.0516 8.04838 numMergedOcc 0
37 mol 229 unq 0 iso 0 dist 8.6537 7.78418 8.92743 12.3517 11.0437 6.42694 numMergedOcc 0
38 mol 229 unq 1 iso 0 dist 8.6537 7.78418 8.92743 9.61759 11.9989 7.63917 numMergedOcc 0
39 mol 229 unq 2 iso 0 dist 5.57702 7.78418 5.77318 12.3517 7.46815 6.42694 numMergedOcc 0
40 mol 229 unq 3 iso 0 dist 5.57702 7.78418 5.77318 9.61759 5.37687 7.63917 numMergedOcc 0
41 mol 237 unq 0 iso 0 dist 9.5822 6.08522 7.42587 11.1729 6.01528 8.7414 numMergedOcc 0
42 mol 251 unq 0 iso 0 dist 7.4878 9.21735 8.01198 10.6554 4.86046 6.42747 numMergedOcc 0
43 mol 264 unq 0 iso 0 dist 7.36905 5.7394 7.52281 9.13546 5.71153 6.02757 numMergedOcc 0
44 mol 264 unq 1 iso 0 dist 7.36905 5.7394 7.52281 8.7365 6.87635 8.67231 numMergedOcc 0
45 mol 264 unq 2 iso 0 dist 6.83408 5.7394 6.42588 9.13546 6.56539 6.02757 numMergedOcc 0
46 mol 264 unq 3 iso 0 dist 6.83408 5.7394 6.42588 8.7365 4.76241 8.67231 numMergedOcc 0
47 mol 266 unq 0 iso 0 dist 8.59986 5.70666 7.71657 6.22195 4.74189 8.20485 numMergedOcc 0
