0 mol 16 unq 0 iso 0 dist 9.56648 5.48395 5.84479 10.1011 8.67719 5.32694 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 9.56648 10.1011 8.67719 5.48395 5.84479 5.32694 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 5.01162 9.88291 6.59893 4.07894 9.06005 13.0997 numMergedOcc 0
3 mol 54 unq 0 iso 1 dist 5.01162 4.07894 9.06005 9.88291 6.59893 13.0997 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.10386 15.7901 9.68526 4.69583 7.26679 15.7123 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 9.10386 4.69583 7.26679 15.7901 9.68526 15.7123 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.10386 15.7901 9.68526 15.8603 9.30776 13.7412 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 9.10386 15.8603 9.30776 15.7901 9.68526 13.7412 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 9.10386 4.69583 7.26679 15.8603 9.30776 12.016 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 9.10386 15.8603 9.30776 4.69583 7.26679 12.016 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.93688 4.71849 9.514 4.32564 7.84888 5.02055 numMergedOcc 0
11 mol 92 unq 0 iso 1 dist 9.93688 4.32564 7.84888 4.71849 9.514 5.02055 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 9.88184 9.24395 9.514 4.33359 7.84888 5.02055 numMergedOcc 0
13 mol 92 unq 1 iso 1 dist 9.88184 4.33359 7.84888 9.24395 9.514 5.02055 numMergedOcc 0
14 mol 102 unq 0 iso 0 dist 9.54857 7.54459 9.43411 8.58092 9.80678 9.15076 numMergedOcc 0
15 mol 102 unq 0 iso 1 dist 9.54857 8.58092 9.80678 7.54459 9.43411 9.15076 numMergedOcc 0
16 mol 102 unq 1 iso 0 dist 9.32058 11.0171 9.43411 12.5781 9.80678 9.15076 numMergedOcc 0
17 mol 102 unq 1 iso 1 dist 9.32058 12.5781 9.80678 11.0171 9.43411 9.15076 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 9.79844 11.8455 6.31633 15.9176 7.21115 6.48636 numMergedOcc 0
19 mol 109 unq 0 iso 1 dist 9.79844 15.9176 7.21115 11.8455 6.31633 6.48636 numMergedOcc 0
20 mol 109 unq 1 iso 0 dist 7.66832 9.47324 8.21889 4.93112 9.74643 7 numMergedOcc 0
21 mol 109 unq 1 iso 1 dist 7.66832 4.93112 9.74643 9.47324 8.21889 7 numMergedOcc 0
22 mol 109 unq 2 iso 0 dist 7.66832 9.47324 8.21889 4.48038 6.86702 8.40993 numMergedOcc 0
23 mol 109 unq 2 iso 1 dist 7.66832 4.48038 6.86702 9.47324 8.21889 8.40993 numMergedOcc 0
24 mol 109 unq 2 iso 0 dist 7.66832 4.93112 9.74643 4.48038 6.86702 6.94915 numMergedOcc 0
25 mol 109 unq 2 iso 1 dist 7.66832 4.48038 6.86702 4.93112 9.74643 6.94915 numMergedOcc 0
26 mol 109 unq 3 iso 0 dist 8.11083 12.7688 8.21889 10.5733 9.74643 7 numMergedOcc 0
27 mol 109 unq 3 iso 1 dist 8.11083 10.5733 9.74643 12.7688 8.21889 7 numMergedOcc 0
28 mol 109 unq 4 iso 0 dist 8.11083 12.7688 8.21889 4.76017 6.86702 8.40993 numMergedOcc 0
29 mol 109 unq 4 iso 1 dist 8.11083 4.76017 6.86702 12.7688 8.21889 8.40993 numMergedOcc 0
30 mol 109 unq 4 iso 0 dist 8.11083 10.5733 9.74643 4.76017 6.86702 6.94915 numMergedOcc 0
31 mol 109 unq 4 iso 1 dist 8.11083 4.76017 6.86702 10.5733 9.74643 6.94915 numMergedOcc 0
32 mol 110 unq 0 iso 0 dist 6.70591 6.12546 7.21229 6.39786 5.25492 4.56913 numMergedOcc 0
33 mol 110 unq 0 iso 1 dist 6.70591 6.39786 5.25492 6.12546 7.21229 4.56913 numMergedOcc 0
34 mol 110 unq 1 iso 0 dist 5.43052 9.24029 7.21229 8.50777 5.25492 4.56913 numMergedOcc 0
35 mol 110 unq 1 iso 1 dist 5.43052 8.50777 5.25492 9.24029 7.21229 4.56913 numMergedOcc 0
36 mol 143 unq 0 iso 0 dist 5.46716 9.79072 9.61081 5.80488 5.46922 5.72828 numMergedOcc 0
37 mol 143 unq 0 iso 1 dist 5.46716 5.80488 5.46922 9.79072 9.61081 5.72828 numMergedOcc 0
38 mol 147 unq 0 iso 0 dist 6.00651 10.4619 9.84695 6.91778 9.18866 15.2746 numMergedOcc 0
39 mol 147 unq 0 iso 1 dist 6.00651 6.91778 9.18866 10.4619 9.84695 15.2746 numMergedOcc 0
40 mol 234 unq 0 iso 0 dist 9.36753 12.0816 5.89084 6.94762 8.47009 7.82322 numMergedOcc 0
41 mol 234 unq 0 iso 1 dist 9.36753 6.94762 8.47009 12.0816 5.89084 7.82322 numMergedOcc 0
42 mol 235 unq 0 iso 0 dist 6.71398 13.1002 9.71281 6.64857 9.2433 12.1984 numMergedOcc 0
43 mol 235 unq 0 iso 1 dist 6.71398 6.64857 9.2433 13.1002 9.71281 12.1984 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 9.46728 11.9383 6.83152 9.23693 5.24313 5.42006 numMergedOcc 0
45 mol 238 unq 0 iso 1 dist 9.46728 9.23693 5.24313 11.9383 6.83152 5.42006 numMergedOcc 0
46 mol 257 unq 0 iso 0 dist 8.43067 4.37426 4.97263 5.8531 5.36776 5.6276 numMergedOcc 0
47 mol 257 unq 0 iso 1 dist 8.43067 5.8531 5.36776 4.37426 4.97263 5.6276 numMergedOcc 0
48 mol 257 unq 1 iso 0 dist 7.6127 5.03065 4.97263 5.98419 5.36776 5.6276 numMergedOcc 0
49 mol 257 unq 1 iso 1 dist 7.6127 5.98419 5.36776 5.03065 4.97263 5.6276 numMergedOcc 0
50 mol 258 unq 0 iso 0 dist 9.4886 11.9201 5.81927 8.27707 6.09782 4.26007 numMergedOcc 0
51 mol 258 unq 0 iso 1 dist 9.4886 8.27707 6.09782 11.9201 5.81927 4.26007 numMergedOcc 0
52 mol 259 unq 0 iso 0 dist 5.98006 6.64729 6.77279 9.79538 9.58006 4.69778 numMergedOcc 0
53 mol 259 unq 0 iso 1 dist 5.98006 9.79538 9.58006 6.64729 6.77279 4.69778 numMergedOcc 0
54 mol 264 unq 0 iso 0 dist 8.05522 5.428 9.01085 4.75604 6.28512 5.57311 numMergedOcc 0
55 mol 264 unq 0 iso 1 dist 8.05522 4.75604 6.28512 5.428 9.01085 5.57311 numMergedOcc 0
56 mol 264 unq 1 iso 0 dist 9.8799 11.079 9.01085 12.5841 6.28512 5.57311 numMergedOcc 0
57 mol 264 unq 1 iso 1 dist 9.8799 12.5841 6.28512 11.079 9.01085 5.57311 numMergedOcc 0
58 mol 273 unq 0 iso 0 dist 8.78928 5.75973 8.90885 9.40198 9.96963 5.96724 numMergedOcc 0
59 mol 273 unq 0 iso 1 dist 8.78928 9.40198 9.96963 5.75973 8.90885 5.96724 numMergedOcc 0
60 mol 274 unq 0 iso 0 dist 7.62562 6.96875 7.79904 15.8929 9.02749 12.8986 numMergedOcc 0
61 mol 274 unq 0 iso 1 dist 7.62562 15.8929 9.02749 6.96875 7.79904 12.8986 numMergedOcc 0
