0 mol 30 unq 0 iso 0 dist 8.98564 7.51725 6.07224 5.80534 9.85891 4.94024 numMergedOcc 0
1 mol 30 unq 0 iso 1 dist 7.51725 8.98564 6.07224 5.80534 4.94024 9.85891 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 7.32064 5.24136 3.46043 8.48827 6.99884 7.80916 numMergedOcc 0
3 mol 78 unq 0 iso 1 dist 5.24136 7.32064 3.46043 8.48827 7.80916 6.99884 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 7.32064 5.24136 3.46043 7.14048 3.75261 5.07608 numMergedOcc 0
5 mol 78 unq 1 iso 1 dist 5.24136 7.32064 3.46043 7.14048 5.07608 3.75261 numMergedOcc 0
6 mol 78 unq 2 iso 0 dist 7.32064 6.44687 10.589 8.48827 6.99884 12.6024 numMergedOcc 0
7 mol 78 unq 2 iso 1 dist 6.44687 7.32064 10.589 8.48827 12.6024 6.99884 numMergedOcc 0
8 mol 78 unq 3 iso 0 dist 7.32064 6.44687 10.589 7.14048 3.75261 11.1395 numMergedOcc 0
9 mol 78 unq 3 iso 1 dist 6.44687 7.32064 10.589 7.14048 11.1395 3.75261 numMergedOcc 0
10 mol 78 unq 4 iso 0 dist 7.32064 5.85007 8.2592 8.48827 6.99884 4.75637 numMergedOcc 0
11 mol 78 unq 4 iso 1 dist 5.85007 7.32064 8.2592 8.48827 4.75637 6.99884 numMergedOcc 0
12 mol 78 unq 5 iso 0 dist 7.32064 5.85007 8.2592 7.14048 3.75261 5.62063 numMergedOcc 0
13 mol 78 unq 5 iso 1 dist 5.85007 7.32064 8.2592 7.14048 5.62063 3.75261 numMergedOcc 0
14 mol 78 unq 6 iso 0 dist 4.62314 4.41745 3.46043 8.03895 6.99884 7.80916 numMergedOcc 0
15 mol 78 unq 6 iso 1 dist 4.41745 4.62314 3.46043 8.03895 7.80916 6.99884 numMergedOcc 0
16 mol 78 unq 7 iso 0 dist 4.62314 4.41745 3.46043 5.68873 3.75261 5.07608 numMergedOcc 0
17 mol 78 unq 7 iso 1 dist 4.41745 4.62314 3.46043 5.68873 5.07608 3.75261 numMergedOcc 0
18 mol 78 unq 8 iso 0 dist 4.62314 6.35234 8.2592 8.03895 6.99884 4.75637 numMergedOcc 0
19 mol 78 unq 8 iso 1 dist 6.35234 4.62314 8.2592 8.03895 4.75637 6.99884 numMergedOcc 0
20 mol 78 unq 9 iso 0 dist 4.62314 6.35234 8.2592 5.68873 3.75261 5.62063 numMergedOcc 0
21 mol 78 unq 9 iso 1 dist 6.35234 4.62314 8.2592 5.68873 5.62063 3.75261 numMergedOcc 0
22 mol 78 unq 2 iso 0 dist 5.24136 6.44687 7.14539 8.48827 7.80916 12.6024 numMergedOcc 0
23 mol 78 unq 2 iso 1 dist 6.44687 5.24136 7.14539 8.48827 12.6024 7.80916 numMergedOcc 0
24 mol 78 unq 3 iso 0 dist 5.24136 6.44687 7.14539 7.14048 5.07608 11.1395 numMergedOcc 0
25 mol 78 unq 3 iso 1 dist 6.44687 5.24136 7.14539 7.14048 11.1395 5.07608 numMergedOcc 0
26 mol 78 unq 4 iso 0 dist 5.24136 5.85007 8.20564 8.48827 7.80916 4.75637 numMergedOcc 0
27 mol 78 unq 4 iso 1 dist 5.85007 5.24136 8.20564 8.48827 4.75637 7.80916 numMergedOcc 0
28 mol 78 unq 5 iso 0 dist 5.24136 5.85007 8.20564 7.14048 5.07608 5.62063 numMergedOcc 0
29 mol 78 unq 5 iso 1 dist 5.85007 5.24136 8.20564 7.14048 5.62063 5.07608 numMergedOcc 0
30 mol 78 unq 8 iso 0 dist 4.41745 6.35234 8.20564 8.03895 7.80916 4.75637 numMergedOcc 0
31 mol 78 unq 8 iso 1 dist 6.35234 4.41745 8.20564 8.03895 4.75637 7.80916 numMergedOcc 0
32 mol 78 unq 9 iso 0 dist 4.41745 6.35234 8.20564 5.68873 5.07608 5.62063 numMergedOcc 0
33 mol 78 unq 9 iso 1 dist 6.35234 4.41745 8.20564 5.68873 5.62063 5.07608 numMergedOcc 0
34 mol 78 unq 4 iso 0 dist 6.44687 5.85007 11.4675 8.48827 12.6024 4.75637 numMergedOcc 0
35 mol 78 unq 4 iso 1 dist 5.85007 6.44687 11.4675 8.48827 4.75637 12.6024 numMergedOcc 0
36 mol 78 unq 5 iso 0 dist 6.44687 5.85007 11.4675 7.14048 11.1395 5.62063 numMergedOcc 0
37 mol 78 unq 5 iso 1 dist 5.85007 6.44687 11.4675 7.14048 5.62063 11.1395 numMergedOcc 0
38 mol 98 unq 0 iso 0 dist 8.3505 7.34638 9.6331 9.68556 17.213 11.0062 numMergedOcc 0
39 mol 98 unq 0 iso 1 dist 7.34638 8.3505 9.6331 9.68556 11.0062 17.213 numMergedOcc 0
40 mol 129 unq 0 iso 0 dist 6.53559 7.90844 9.74141 7.04904 12.7725 9.39617 numMergedOcc 0
41 mol 129 unq 0 iso 1 dist 7.90844 6.53559 9.74141 7.04904 9.39617 12.7725 numMergedOcc 0
42 mol 129 unq 1 iso 0 dist 6.53559 7.90844 9.74141 5.06053 10.2785 6.48525 numMergedOcc 0
43 mol 129 unq 1 iso 1 dist 7.90844 6.53559 9.74141 5.06053 6.48525 10.2785 numMergedOcc 0
44 mol 168 unq 0 iso 0 dist 9.23064 7.30338 13.6611 8.97414 6.06538 9.99868 numMergedOcc 0
45 mol 168 unq 0 iso 1 dist 7.30338 9.23064 13.6611 8.97414 9.99868 6.06538 numMergedOcc 0
46 mol 168 unq 1 iso 0 dist 9.23064 7.30338 13.6611 8.00063 13.0096 3.5168 numMergedOcc 0
47 mol 168 unq 1 iso 1 dist 7.30338 9.23064 13.6611 8.00063 3.5168 13.0096 numMergedOcc 0
48 mol 186 unq 0 iso 0 dist 9.18289 6.52441 8.40937 6.99587 4.97041 4.75583 numMergedOcc 0
49 mol 186 unq 0 iso 1 dist 6.52441 9.18289 8.40937 6.99587 4.75583 4.97041 numMergedOcc 0
50 mol 186 unq 1 iso 0 dist 9.18289 6.52441 8.40937 4.37577 6.50779 3.11607 numMergedOcc 0
51 mol 186 unq 1 iso 1 dist 6.52441 9.18289 8.40937 4.37577 3.11607 6.50779 numMergedOcc 0
52 mol 186 unq 2 iso 0 dist 9.18289 6.26168 10.2872 6.99587 4.97041 5.53349 numMergedOcc 0
53 mol 186 unq 2 iso 1 dist 6.26168 9.18289 10.2872 6.99587 5.53349 4.97041 numMergedOcc 0
54 mol 186 unq 3 iso 0 dist 9.18289 6.26168 10.2872 4.37577 6.50779 4.65666 numMergedOcc 0
55 mol 186 unq 3 iso 1 dist 6.26168 9.18289 10.2872 4.37577 4.65666 6.50779 numMergedOcc 0
56 mol 186 unq 2 iso 0 dist 6.52441 6.26168 5.08963 6.99587 4.75583 5.53349 numMergedOcc 0
57 mol 186 unq 2 iso 1 dist 6.26168 6.52441 5.08963 6.99587 5.53349 4.75583 numMergedOcc 0
58 mol 186 unq 3 iso 0 dist 6.52441 6.26168 5.08963 4.37577 3.11607 4.65666 numMergedOcc 0
59 mol 186 unq 3 iso 1 dist 6.26168 6.52441 5.08963 4.37577 4.65666 3.11607 numMergedOcc 0
60 mol 188 unq 0 iso 0 dist 7.6482 9.30803 3.68927 8.85223 3.42559 6.93096 numMergedOcc 0
61 mol 188 unq 0 iso 1 dist 9.30803 7.6482 3.68927 8.85223 6.93096 3.42559 numMergedOcc 0
62 mol 196 unq 0 iso 0 dist 8.76076 4.36496 7.12401 9.34759 15.8037 10.0295 numMergedOcc 0
63 mol 196 unq 0 iso 1 dist 4.36496 8.76076 7.12401 9.34759 10.0295 15.8037 numMergedOcc 0
64 mol 196 unq 1 iso 0 dist 8.76076 7.34995 13.9022 9.34759 15.8037 6.367 numMergedOcc 0
65 mol 196 unq 1 iso 1 dist 7.34995 8.76076 13.9022 9.34759 6.367 15.8037 numMergedOcc 0
66 mol 196 unq 1 iso 0 dist 4.36496 7.34995 6.81108 9.34759 10.0295 6.367 numMergedOcc 0
67 mol 196 unq 1 iso 1 dist 7.34995 4.36496 6.81108 9.34759 6.367 10.0295 numMergedOcc 0
68 mol 205 unq 0 iso 0 dist 5.06713 8.69512 8.2248 5.66636 6.49396 8.93955 numMergedOcc 0
69 mol 205 unq 0 iso 1 dist 8.69512 5.06713 8.2248 5.66636 8.93955 6.49396 numMergedOcc 0
70 mol 270 unq 0 iso 0 dist 6.46935 5.98384 5.42225 7.97614 7.2389 3.30547 numMergedOcc 0
71 mol 270 unq 0 iso 1 dist 5.98384 6.46935 5.42225 7.97614 3.30547 7.2389 numMergedOcc 0
72 mol 285 unq 0 iso 0 dist 8.69325 5.09181 6.22779 5.28731 10.7499 4.98469 numMergedOcc 0
73 mol 285 unq 0 iso 1 dist 5.09181 8.69325 6.22779 5.28731 4.98469 10.7499 numMergedOcc 0
