0 mol 59 unq 0 iso 0 dist 7.69638 4.90216 3.68327 9.84217 9.13939 10.472 numMergedOcc 0
1 mol 59 unq 0 iso 1 dist 7.69638 9.84217 9.13939 4.90216 3.68327 10.472 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 8.60535 9.79317 10.0384 7.69436 6.36433 3.72672 numMergedOcc 0
3 mol 70 unq 0 iso 1 dist 8.60535 7.69436 6.36433 9.79317 10.0384 3.72672 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 9.4486 8.48827 4.35598 7.14048 5.50339 3.24688 numMergedOcc 0
5 mol 78 unq 0 iso 1 dist 9.4486 7.14048 5.50339 8.48827 4.35598 3.24688 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 6.85867 8.56269 9.33803 9.40699 5.46401 12.9011 numMergedOcc 0
7 mol 88 unq 0 iso 1 dist 6.85867 9.40699 5.46401 8.56269 9.33803 12.9011 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.62309 7.29864 3.79182 7.7399 8.93569 11.8229 numMergedOcc 0
9 mol 92 unq 0 iso 1 dist 5.62309 7.7399 8.93569 7.29864 3.79182 11.8229 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 7.11438 7.29864 9.74373 7.7399 3.98877 11.8229 numMergedOcc 0
11 mol 92 unq 1 iso 1 dist 7.11438 7.7399 3.98877 7.29864 9.74373 11.8229 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 7.4518 5.10693 4.34681 6.58814 5.73248 2.81832 numMergedOcc 0
13 mol 93 unq 0 iso 1 dist 7.4518 6.58814 5.73248 5.10693 4.34681 2.81832 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 7.4518 5.10693 4.34681 6.13459 13.5809 10.7776 numMergedOcc 0
15 mol 93 unq 1 iso 1 dist 7.4518 6.13459 13.5809 5.10693 4.34681 10.7776 numMergedOcc 0
16 mol 93 unq 2 iso 0 dist 7.4518 5.10693 4.34681 7.54391 14.149 10.4844 numMergedOcc 0
17 mol 93 unq 2 iso 1 dist 7.4518 7.54391 14.149 5.10693 4.34681 10.4844 numMergedOcc 0
18 mol 93 unq 1 iso 0 dist 7.4518 6.58814 5.73248 6.13459 13.5809 11.7564 numMergedOcc 0
19 mol 93 unq 1 iso 1 dist 7.4518 6.13459 13.5809 6.58814 5.73248 11.7564 numMergedOcc 0
20 mol 93 unq 2 iso 0 dist 7.4518 6.58814 5.73248 7.54391 14.149 10.3262 numMergedOcc 0
21 mol 93 unq 2 iso 1 dist 7.4518 7.54391 14.149 6.58814 5.73248 10.3262 numMergedOcc 0
22 mol 93 unq 2 iso 0 dist 7.4518 6.13459 13.5809 7.54391 14.149 5.02964 numMergedOcc 0
23 mol 93 unq 2 iso 1 dist 7.4518 7.54391 14.149 6.13459 13.5809 5.02964 numMergedOcc 0
24 mol 93 unq 3 iso 0 dist 9.1687 5.10693 9.11796 6.58814 7.24672 2.81832 numMergedOcc 0
25 mol 93 unq 3 iso 1 dist 9.1687 6.58814 7.24672 5.10693 9.11796 2.81832 numMergedOcc 0
26 mol 93 unq 4 iso 0 dist 9.1687 5.10693 9.11796 6.13459 10.6039 10.7776 numMergedOcc 0
27 mol 93 unq 4 iso 1 dist 9.1687 6.13459 10.6039 5.10693 9.11796 10.7776 numMergedOcc 0
28 mol 93 unq 5 iso 0 dist 9.1687 5.10693 9.11796 7.54391 6.48338 10.4844 numMergedOcc 0
29 mol 93 unq 5 iso 1 dist 9.1687 7.54391 6.48338 5.10693 9.11796 10.4844 numMergedOcc 0
30 mol 93 unq 4 iso 0 dist 9.1687 6.58814 7.24672 6.13459 10.6039 11.7564 numMergedOcc 0
31 mol 93 unq 4 iso 1 dist 9.1687 6.13459 10.6039 6.58814 7.24672 11.7564 numMergedOcc 0
32 mol 93 unq 5 iso 0 dist 9.1687 6.58814 7.24672 7.54391 6.48338 10.3262 numMergedOcc 0
33 mol 93 unq 5 iso 1 dist 9.1687 7.54391 6.48338 6.58814 7.24672 10.3262 numMergedOcc 0
34 mol 93 unq 5 iso 0 dist 9.1687 6.13459 10.6039 7.54391 6.48338 5.02964 numMergedOcc 0
35 mol 93 unq 5 iso 1 dist 9.1687 7.54391 6.48338 6.13459 10.6039 5.02964 numMergedOcc 0
36 mol 147 unq 0 iso 0 dist 9.41073 8.76449 10.1443 8.36182 11.2502 3.6066 numMergedOcc 0
37 mol 147 unq 0 iso 1 dist 9.41073 8.36182 11.2502 8.76449 10.1443 3.6066 numMergedOcc 0
38 mol 168 unq 0 iso 0 dist 8.90876 8.97414 8.8681 8.00063 5.71136 8.38976 numMergedOcc 0
39 mol 168 unq 0 iso 1 dist 8.90876 8.00063 5.71136 8.97414 8.8681 8.38976 numMergedOcc 0
40 mol 169 unq 0 iso 0 dist 7.91434 7.50458 14.0793 5.79554 13.629 5.23644 numMergedOcc 0
41 mol 169 unq 0 iso 1 dist 7.91434 5.79554 13.629 7.50458 14.0793 5.23644 numMergedOcc 0
42 mol 169 unq 1 iso 0 dist 7.91434 7.50458 14.0793 4.22003 11.1464 7.52063 numMergedOcc 0
43 mol 169 unq 1 iso 1 dist 7.91434 4.22003 11.1464 7.50458 14.0793 7.52063 numMergedOcc 0
44 mol 169 unq 1 iso 0 dist 7.91434 5.79554 13.629 4.22003 11.1464 3.74306 numMergedOcc 0
45 mol 169 unq 1 iso 1 dist 7.91434 4.22003 11.1464 5.79554 13.629 3.74306 numMergedOcc 0
46 mol 169 unq 2 iso 0 dist 7.79437 7.50458 14.1141 5.79554 13.1539 5.23644 numMergedOcc 0
47 mol 169 unq 2 iso 1 dist 7.79437 5.79554 13.1539 7.50458 14.1141 5.23644 numMergedOcc 0
48 mol 169 unq 3 iso 0 dist 7.79437 7.50458 14.1141 4.22003 11.6489 7.52063 numMergedOcc 0
49 mol 169 unq 3 iso 1 dist 7.79437 4.22003 11.6489 7.50458 14.1141 7.52063 numMergedOcc 0
50 mol 169 unq 3 iso 0 dist 7.79437 5.79554 13.1539 4.22003 11.6489 3.74306 numMergedOcc 0
51 mol 169 unq 3 iso 1 dist 7.79437 4.22003 11.6489 5.79554 13.1539 3.74306 numMergedOcc 0
52 mol 204 unq 0 iso 0 dist 8.62191 8.29256 9.07662 7.8274 7.37577 8.55398 numMergedOcc 0
53 mol 204 unq 0 iso 1 dist 8.62191 7.8274 7.37577 8.29256 9.07662 8.55398 numMergedOcc 0
54 mol 210 unq 0 iso 0 dist 9.26092 9.49242 3.71145 9.25184 11.0674 12.017 numMergedOcc 0
55 mol 210 unq 0 iso 1 dist 9.26092 9.25184 11.0674 9.49242 3.71145 12.017 numMergedOcc 0
56 mol 244 unq 0 iso 0 dist 5.79898 5.16859 10.1665 4.79207 5.68434 5.86449 numMergedOcc 0
57 mol 244 unq 0 iso 1 dist 5.79898 4.79207 5.68434 5.16859 10.1665 5.86449 numMergedOcc 0
58 mol 253 unq 0 iso 0 dist 9.34735 8.71119 6.06804 6.21648 8.66074 9.28234 numMergedOcc 0
59 mol 253 unq 0 iso 1 dist 9.34735 6.21648 8.66074 8.71119 6.06804 9.28234 numMergedOcc 0
60 mol 260 unq 0 iso 0 dist 5.68717 7.88108 3.60349 9.46576 7.28821 9.93488 numMergedOcc 0
61 mol 260 unq 0 iso 1 dist 5.68717 9.46576 7.28821 7.88108 3.60349 9.93488 numMergedOcc 0
62 mol 287 unq 0 iso 0 dist 7.76945 9.1471 3.96271 7.84189 5.39801 9.30266 numMergedOcc 0
63 mol 287 unq 0 iso 1 dist 7.76945 7.84189 5.39801 9.1471 3.96271 9.30266 numMergedOcc 0
64 mol 288 unq 0 iso 0 dist 7.76945 9.1471 3.96271 7.84189 5.39801 9.30266 numMergedOcc 0
65 mol 288 unq 0 iso 1 dist 7.76945 7.84189 5.39801 9.1471 3.96271 9.30266 numMergedOcc 0
66 mol 289 unq 0 iso 0 dist 7.76945 9.1471 3.96271 7.84189 5.39801 9.30266 numMergedOcc 0
67 mol 289 unq 0 iso 1 dist 7.76945 7.84189 5.39801 9.1471 3.96271 9.30266 numMergedOcc 0
