0 mol 24 unq 0 iso 0 dist 8.70141 6.36381 5.11135 8.6586 4.21283 3.67206 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.53604 9.37435 5.81834 8.97566 5.82859 4.79817 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 7.53604 9.37435 5.81834 8.81085 6.99896 5.2495 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.70778 9.63803 15.0821 7.89667 12.7914 8.86888 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 8.85591 9.37435 3.62391 8.97566 6.70872 4.79817 numMergedOcc 0
5 mol 26 unq 4 iso 0 dist 8.85591 9.37435 3.62391 8.81085 5.47056 5.2495 numMergedOcc 0
6 mol 26 unq 5 iso 0 dist 9.67576 9.37435 8.26998 8.97566 11.2447 4.79817 numMergedOcc 0
7 mol 26 unq 6 iso 0 dist 9.67576 9.37435 8.26998 8.81085 4.63716 5.2495 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 6.54185 7.32064 7.68515 8.48827 9.21018 6.99884 numMergedOcc 0
9 mol 78 unq 1 iso 0 dist 6.54185 7.32064 7.68515 7.14048 7.74516 3.75261 numMergedOcc 0
10 mol 78 unq 2 iso 0 dist 6.54185 5.24136 4.57743 8.48827 9.21018 7.80916 numMergedOcc 0
11 mol 78 unq 3 iso 0 dist 6.54185 5.24136 4.57743 7.14048 7.74516 5.07608 numMergedOcc 0
12 mol 78 unq 4 iso 0 dist 6.54185 6.44687 4.60481 8.48827 9.21018 12.6024 numMergedOcc 0
13 mol 78 unq 5 iso 0 dist 6.54185 6.44687 4.60481 7.14048 7.74516 11.1395 numMergedOcc 0
14 mol 78 unq 6 iso 0 dist 6.54185 5.85007 9.75971 8.48827 9.21018 4.75637 numMergedOcc 0
15 mol 78 unq 7 iso 0 dist 6.54185 5.85007 9.75971 7.14048 7.74516 5.62063 numMergedOcc 0
16 mol 78 unq 8 iso 0 dist 9.68502 7.32064 13.8124 8.48827 14.6646 6.99884 numMergedOcc 0
17 mol 78 unq 9 iso 0 dist 9.68502 7.32064 13.8124 7.14048 13.7979 3.75261 numMergedOcc 0
18 mol 78 unq 10 iso 0 dist 9.68502 5.24136 10.3996 8.48827 14.6646 7.80916 numMergedOcc 0
19 mol 78 unq 11 iso 0 dist 9.68502 5.24136 10.3996 7.14048 13.7979 5.07608 numMergedOcc 0
20 mol 78 unq 12 iso 0 dist 9.68502 6.44687 3.90674 8.48827 14.6646 12.6024 numMergedOcc 0
21 mol 78 unq 13 iso 0 dist 9.68502 6.44687 3.90674 7.14048 13.7979 11.1395 numMergedOcc 0
22 mol 78 unq 14 iso 0 dist 9.68502 5.85007 13.8571 8.48827 14.6646 4.75637 numMergedOcc 0
23 mol 78 unq 15 iso 0 dist 9.68502 5.85007 13.8571 7.14048 13.7979 5.62063 numMergedOcc 0
24 mol 79 unq 0 iso 0 dist 5.69384 8.59739 4.4921 7.06029 5.47798 5.70329 numMergedOcc 0
25 mol 113 unq 0 iso 0 dist 6.20553 6.12348 7.48733 7.08403 6.39863 3.52445 numMergedOcc 0
26 mol 128 unq 0 iso 0 dist 6.17362 9.45412 9.79089 5.38983 4.21194 11.7784 numMergedOcc 0
27 mol 129 unq 0 iso 0 dist 7.56091 6.53559 3.91491 7.04904 11.8978 12.7725 numMergedOcc 0
28 mol 129 unq 1 iso 0 dist 7.56091 6.53559 3.91491 5.06053 9.50767 10.2785 numMergedOcc 0
29 mol 129 unq 2 iso 0 dist 7.56091 7.90844 9.18412 7.04904 11.8978 9.39617 numMergedOcc 0
30 mol 129 unq 3 iso 0 dist 7.56091 7.90844 9.18412 5.06053 9.50767 6.48525 numMergedOcc 0
31 mol 169 unq 0 iso 0 dist 6.29631 6.27683 7.59743 7.33643 6.28641 3.59996 numMergedOcc 0
32 mol 171 unq 0 iso 0 dist 7.68295 6.51523 6.1593 7.06555 12.1034 7.20382 numMergedOcc 0
33 mol 196 unq 0 iso 0 dist 7.63142 8.76076 15.0399 9.34759 5.9011 15.8037 numMergedOcc 0
34 mol 196 unq 1 iso 0 dist 7.63142 4.36496 10.6643 9.34759 5.9011 10.0295 numMergedOcc 0
35 mol 196 unq 2 iso 0 dist 7.63142 7.34995 9.19343 9.34759 5.9011 6.367 numMergedOcc 0
36 mol 232 unq 0 iso 0 dist 9.49955 9.85909 14.4073 8.00949 12.2226 10.4613 numMergedOcc 0
37 mol 232 unq 1 iso 0 dist 9.49955 9.85909 14.4073 8.19257 5.78237 10.9338 numMergedOcc 0
38 mol 232 unq 2 iso 0 dist 7.03236 9.85909 12.7174 8.00949 14.3328 10.4613 numMergedOcc 0
39 mol 232 unq 3 iso 0 dist 7.03236 9.85909 12.7174 8.19257 4.98464 10.9338 numMergedOcc 0
40 mol 270 unq 0 iso 0 dist 8.05859 6.46935 6.81331 7.97614 12.1343 7.2389 numMergedOcc 0
41 mol 270 unq 1 iso 0 dist 8.05859 5.98384 8.99387 7.97614 12.1343 3.30547 numMergedOcc 0
42 mol 274 unq 0 iso 0 dist 7.71972 4.97796 6.522 9.82713 10.8539 10.6981 numMergedOcc 0
43 mol 274 unq 1 iso 0 dist 9.76049 4.97796 7.44746 9.82713 17.0434 10.6981 numMergedOcc 0
44 mol 285 unq 0 iso 0 dist 6.89391 8.69325 10.0457 5.28731 6.89311 10.7499 numMergedOcc 0
45 mol 285 unq 1 iso 0 dist 6.89391 5.09181 8.05127 5.28731 6.89311 4.98469 numMergedOcc 0
