0 mol 44 unq 0 iso 0 dist 9.96265 5.12876 9.70459 12.8967 9.6782 13.4256 numMergedOcc 0
1 mol 44 unq 0 iso 1 dist 9.70459 5.12876 9.96265 13.4256 9.6782 12.8967 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 9.96265 6.85995 7.78905 12.8967 9.6782 9.64095 numMergedOcc 0
3 mol 44 unq 1 iso 1 dist 7.78905 6.85995 9.96265 9.64095 9.6782 12.8967 numMergedOcc 0
4 mol 44 unq 2 iso 0 dist 9.96265 11.3037 9.44909 12.8967 9.6782 4.83412 numMergedOcc 0
5 mol 44 unq 2 iso 1 dist 9.44909 11.3037 9.96265 4.83412 9.6782 12.8967 numMergedOcc 0
6 mol 44 unq 1 iso 0 dist 9.70459 4.19085 7.78905 13.4256 9.6782 9.64095 numMergedOcc 0
7 mol 44 unq 1 iso 1 dist 7.78905 4.19085 9.70459 9.64095 9.6782 13.4256 numMergedOcc 0
8 mol 44 unq 2 iso 0 dist 9.70459 10.2017 9.44909 13.4256 9.6782 4.83412 numMergedOcc 0
9 mol 44 unq 2 iso 1 dist 9.44909 10.2017 9.70459 4.83412 9.6782 13.4256 numMergedOcc 0
10 mol 44 unq 2 iso 0 dist 7.78905 6.10468 9.44909 9.64095 9.6782 4.83412 numMergedOcc 0
11 mol 44 unq 2 iso 1 dist 9.44909 6.10468 7.78905 4.83412 9.6782 9.64095 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 8.06168 11.1443 8.67532 4.53047 6.02816 7.05537 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 8.67532 11.1443 8.06168 7.05537 6.02816 4.53047 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 5.9747 4.24815 4.50572 7.43001 6.65501 9.5305 numMergedOcc 0
15 mol 98 unq 0 iso 1 dist 4.50572 4.24815 5.9747 9.5305 6.65501 7.43001 numMergedOcc 0
16 mol 122 unq 0 iso 0 dist 6.78949 9.50688 9.40018 6.93382 9.23819 4.81033 numMergedOcc 0
17 mol 122 unq 0 iso 1 dist 9.40018 9.50688 6.78949 4.81033 9.23819 6.93382 numMergedOcc 0
18 mol 122 unq 1 iso 0 dist 6.78949 9.50688 9.40018 4.21285 8.88537 9.33734 numMergedOcc 0
19 mol 122 unq 1 iso 1 dist 9.40018 9.50688 6.78949 9.33734 8.88537 4.21285 numMergedOcc 0
20 mol 180 unq 0 iso 0 dist 9.88732 5.33436 5.77949 10.6052 5.85827 5.62869 numMergedOcc 0
21 mol 180 unq 0 iso 1 dist 5.77949 5.33436 9.88732 5.62869 5.85827 10.6052 numMergedOcc 0
22 mol 180 unq 1 iso 0 dist 9.88732 6.10537 8.68403 10.6052 5.85827 8.39191 numMergedOcc 0
23 mol 180 unq 1 iso 1 dist 8.68403 6.10537 9.88732 8.39191 5.85827 10.6052 numMergedOcc 0
24 mol 180 unq 2 iso 0 dist 9.88732 12.986 5.80441 10.6052 5.85827 4.11186 numMergedOcc 0
25 mol 180 unq 2 iso 1 dist 5.80441 12.986 9.88732 4.11186 5.85827 10.6052 numMergedOcc 0
26 mol 180 unq 1 iso 0 dist 5.77949 3.984 8.68403 5.62869 5.85827 8.39191 numMergedOcc 0
27 mol 180 unq 1 iso 1 dist 8.68403 3.984 5.77949 8.39191 5.85827 5.62869 numMergedOcc 0
28 mol 180 unq 2 iso 0 dist 5.77949 8.49238 5.80441 5.62869 5.85827 4.11186 numMergedOcc 0
29 mol 180 unq 2 iso 1 dist 5.80441 8.49238 5.77949 4.11186 5.85827 5.62869 numMergedOcc 0
30 mol 180 unq 2 iso 0 dist 8.68403 11.8501 5.80441 8.39191 5.85827 4.11186 numMergedOcc 0
31 mol 180 unq 2 iso 1 dist 5.80441 11.8501 8.68403 4.11186 5.85827 8.39191 numMergedOcc 0
32 mol 206 unq 0 iso 0 dist 9.73892 5.6308 8.46319 3.89957 7.29285 4.06474 numMergedOcc 0
33 mol 206 unq 0 iso 1 dist 8.46319 5.6308 9.73892 4.06474 7.29285 3.89957 numMergedOcc 0
34 mol 206 unq 1 iso 0 dist 9.73892 8.70851 9.11298 3.89957 7.29285 7.56231 numMergedOcc 0
35 mol 206 unq 1 iso 1 dist 9.11298 8.70851 9.73892 7.56231 7.29285 3.89957 numMergedOcc 0
36 mol 206 unq 1 iso 0 dist 8.46319 3.85697 9.11298 4.06474 7.29285 7.56231 numMergedOcc 0
37 mol 206 unq 1 iso 1 dist 9.11298 3.85697 8.46319 7.56231 7.29285 4.06474 numMergedOcc 0
38 mol 206 unq 2 iso 0 dist 9.36079 3.85697 7.42904 10.9922 6.16414 8.16827 numMergedOcc 0
39 mol 206 unq 2 iso 1 dist 7.42904 3.85697 9.36079 8.16827 6.16414 10.9922 numMergedOcc 0
40 mol 206 unq 3 iso 0 dist 9.36079 3.85697 7.42904 9.89331 7.33701 6.06766 numMergedOcc 0
41 mol 206 unq 3 iso 1 dist 7.42904 3.85697 9.36079 6.06766 7.33701 9.89331 numMergedOcc 0
42 mol 206 unq 4 iso 0 dist 9.36079 3.85697 7.42904 8.83984 8.0871 5.82916 numMergedOcc 0
43 mol 206 unq 4 iso 1 dist 7.42904 3.85697 9.36079 5.82916 8.0871 8.83984 numMergedOcc 0
44 mol 212 unq 0 iso 0 dist 5.87223 9.449 8.062 9.39384 9.74144 4.69067 numMergedOcc 0
45 mol 212 unq 0 iso 1 dist 8.062 9.449 5.87223 4.69067 9.74144 9.39384 numMergedOcc 0
46 mol 212 unq 1 iso 0 dist 5.87223 9.449 8.062 6.48939 8.69988 10.4595 numMergedOcc 0
47 mol 212 unq 1 iso 1 dist 8.062 9.449 5.87223 10.4595 8.69988 6.48939 numMergedOcc 0
48 mol 212 unq 2 iso 0 dist 5.87223 9.449 8.062 5.81626 8.55903 14.0193 numMergedOcc 0
49 mol 212 unq 2 iso 1 dist 8.062 9.449 5.87223 14.0193 8.55903 5.81626 numMergedOcc 0
50 mol 212 unq 3 iso 0 dist 5.87223 9.449 8.062 5.94698 7.15603 4.18086 numMergedOcc 0
51 mol 212 unq 3 iso 1 dist 8.062 9.449 5.87223 4.18086 7.15603 5.94698 numMergedOcc 0
52 mol 212 unq 4 iso 0 dist 5.87223 5.23375 8.70011 9.39384 9.74144 5.37854 numMergedOcc 0
53 mol 212 unq 4 iso 1 dist 8.70011 5.23375 5.87223 5.37854 9.74144 9.39384 numMergedOcc 0
54 mol 212 unq 5 iso 0 dist 5.87223 5.23375 8.70011 6.48939 8.69988 8.87823 numMergedOcc 0
55 mol 212 unq 5 iso 1 dist 8.70011 5.23375 5.87223 8.87823 8.69988 6.48939 numMergedOcc 0
56 mol 212 unq 6 iso 0 dist 5.87223 5.23375 8.70011 5.81626 8.55903 10.7245 numMergedOcc 0
57 mol 212 unq 6 iso 1 dist 8.70011 5.23375 5.87223 10.7245 8.55903 5.81626 numMergedOcc 0
58 mol 212 unq 7 iso 0 dist 5.87223 5.23375 8.70011 5.94698 7.15603 3.74692 numMergedOcc 0
59 mol 212 unq 7 iso 1 dist 8.70011 5.23375 5.87223 3.74692 7.15603 5.94698 numMergedOcc 0
60 mol 212 unq 4 iso 0 dist 8.062 7.17541 8.70011 4.69067 9.74144 5.37854 numMergedOcc 0
61 mol 212 unq 4 iso 1 dist 8.70011 7.17541 8.062 5.37854 9.74144 4.69067 numMergedOcc 0
62 mol 212 unq 5 iso 0 dist 8.062 7.17541 8.70011 10.4595 8.69988 8.87823 numMergedOcc 0
63 mol 212 unq 5 iso 1 dist 8.70011 7.17541 8.062 8.87823 8.69988 10.4595 numMergedOcc 0
64 mol 212 unq 6 iso 0 dist 8.062 7.17541 8.70011 14.0193 8.55903 10.7245 numMergedOcc 0
65 mol 212 unq 6 iso 1 dist 8.70011 7.17541 8.062 10.7245 8.55903 14.0193 numMergedOcc 0
66 mol 212 unq 7 iso 0 dist 8.062 7.17541 8.70011 4.18086 7.15603 3.74692 numMergedOcc 0
67 mol 212 unq 7 iso 1 dist 8.70011 7.17541 8.062 3.74692 7.15603 4.18086 numMergedOcc 0
68 mol 234 unq 0 iso 0 dist 7.46434 14.7028 7.50424 6.06471 6.30154 11.2248 numMergedOcc 0
69 mol 234 unq 0 iso 1 dist 7.50424 14.7028 7.46434 11.2248 6.30154 6.06471 numMergedOcc 0
70 mol 234 unq 1 iso 0 dist 7.46434 14.7028 7.50424 11.1213 7.32499 10.6488 numMergedOcc 0
71 mol 234 unq 1 iso 1 dist 7.50424 14.7028 7.46434 10.6488 7.32499 11.1213 numMergedOcc 0
72 mol 235 unq 0 iso 0 dist 9.11256 13.6805 7.08539 3.93066 9.55668 13.0408 numMergedOcc 0
73 mol 235 unq 0 iso 1 dist 7.08539 13.6805 9.11256 13.0408 9.55668 3.93066 numMergedOcc 0
74 mol 236 unq 0 iso 0 dist 7.89744 8.96137 8.6417 5.55311 7.1686 4.28296 numMergedOcc 0
75 mol 236 unq 0 iso 1 dist 8.6417 8.96137 7.89744 4.28296 7.1686 5.55311 numMergedOcc 0
76 mol 237 unq 0 iso 0 dist 8.56463 15.4427 9.42743 5.32535 6.99315 11.5107 numMergedOcc 0
77 mol 237 unq 0 iso 1 dist 9.42743 15.4427 8.56463 11.5107 6.99315 5.32535 numMergedOcc 0
78 mol 249 unq 0 iso 0 dist 6.37672 4.32316 8.94023 4.20164 5.48118 5.93404 numMergedOcc 0
79 mol 249 unq 0 iso 1 dist 8.94023 4.32316 6.37672 5.93404 5.48118 4.20164 numMergedOcc 0
80 mol 292 unq 0 iso 0 dist 9.6898 13.4368 5.75596 7.31058 7.83341 8.07013 numMergedOcc 0
81 mol 292 unq 0 iso 1 dist 5.75596 13.4368 9.6898 8.07013 7.83341 7.31058 numMergedOcc 0
82 mol 292 unq 1 iso 0 dist 9.20416 10.0257 7.53641 11.6878 7.07965 8.46139 numMergedOcc 0
83 mol 292 unq 1 iso 1 dist 7.53641 10.0257 9.20416 8.46139 7.07965 11.6878 numMergedOcc 0
