0 mol 4 unq 0 iso 0 dist 8.67981 11.5212 6.12485 3.6405 9.04027 9.77707 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 8.67981 3.6405 9.04027 11.5212 6.12485 9.77707 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 9.1125 4.55975 8.03458 11.8229 8.2106 10.4382 numMergedOcc 0
3 mol 10 unq 0 iso 1 dist 9.1125 11.8229 8.2106 4.55975 8.03458 10.4382 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 8.41842 10.8869 8.04019 10.1727 7.44828 14.7604 numMergedOcc 0
5 mol 33 unq 0 iso 1 dist 8.41842 10.1727 7.44828 10.8869 8.04019 14.7604 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 7.38663 5.18893 7.36738 4.18787 7.79266 4.7203 numMergedOcc 0
7 mol 34 unq 0 iso 1 dist 7.38663 4.18787 7.79266 5.18893 7.36738 4.7203 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 8.05728 9.57046 9.40644 4.91237 5.35252 5.43494 numMergedOcc 0
9 mol 48 unq 0 iso 1 dist 8.05728 4.91237 5.35252 9.57046 9.40644 5.43494 numMergedOcc 0
10 mol 67 unq 0 iso 0 dist 8.34804 10.7182 8.27009 5.66613 5.80736 8.61446 numMergedOcc 0
11 mol 67 unq 0 iso 1 dist 8.34804 5.66613 5.80736 10.7182 8.27009 8.61446 numMergedOcc 0
12 mol 75 unq 0 iso 0 dist 5.01633 4.18109 8.25597 4.01868 4.76466 4.41154 numMergedOcc 0
13 mol 75 unq 0 iso 1 dist 5.01633 4.01868 4.76466 4.18109 8.25597 4.41154 numMergedOcc 0
14 mol 75 unq 1 iso 0 dist 5.01633 4.18109 8.25597 6.54389 8.67172 4.7808 numMergedOcc 0
15 mol 75 unq 1 iso 1 dist 5.01633 6.54389 8.67172 4.18109 8.25597 4.7808 numMergedOcc 0
16 mol 75 unq 1 iso 0 dist 5.01633 4.01868 4.76466 6.54389 8.67172 5.23438 numMergedOcc 0
17 mol 75 unq 1 iso 1 dist 5.01633 6.54389 8.67172 4.01868 4.76466 5.23438 numMergedOcc 0
18 mol 87 unq 0 iso 0 dist 9.4868 15.7737 9.90256 6.27329 5.63748 10.445 numMergedOcc 0
19 mol 87 unq 0 iso 1 dist 9.4868 6.27329 5.63748 15.7737 9.90256 10.445 numMergedOcc 0
20 mol 103 unq 0 iso 0 dist 7.52954 6.38538 8.078 6.78021 6.56481 11.6637 numMergedOcc 0
21 mol 103 unq 0 iso 1 dist 7.52954 6.78021 6.56481 6.38538 8.078 11.6637 numMergedOcc 0
22 mol 174 unq 0 iso 0 dist 4.77805 5.75017 7.27146 6.92858 6.25798 8.45124 numMergedOcc 0
23 mol 174 unq 0 iso 1 dist 4.77805 6.92858 6.25798 5.75017 7.27146 8.45124 numMergedOcc 0
24 mol 187 unq 0 iso 0 dist 5.82577 10.7172 5.58167 4.75665 8.0501 11.6883 numMergedOcc 0
25 mol 187 unq 0 iso 1 dist 5.82577 4.75665 8.0501 10.7172 5.58167 11.6883 numMergedOcc 0
26 mol 192 unq 0 iso 0 dist 8.86627 8.61606 7.36571 4.25327 9.80122 11.1205 numMergedOcc 0
27 mol 192 unq 0 iso 1 dist 8.86627 4.25327 9.80122 8.61606 7.36571 11.1205 numMergedOcc 0
28 mol 192 unq 1 iso 0 dist 8.86627 8.61606 7.36571 4.97164 9.17137 8.74203 numMergedOcc 0
29 mol 192 unq 1 iso 1 dist 8.86627 4.97164 9.17137 8.61606 7.36571 8.74203 numMergedOcc 0
30 mol 192 unq 1 iso 0 dist 8.86627 4.25327 9.80122 4.97164 9.17137 8.95038 numMergedOcc 0
31 mol 192 unq 1 iso 1 dist 8.86627 4.97164 9.17137 4.25327 9.80122 8.95038 numMergedOcc 0
32 mol 192 unq 2 iso 0 dist 9.10569 5.41356 7.36571 8.1874 9.80122 11.1205 numMergedOcc 0
33 mol 192 unq 2 iso 1 dist 9.10569 8.1874 9.80122 5.41356 7.36571 11.1205 numMergedOcc 0
34 mol 192 unq 3 iso 0 dist 9.10569 5.41356 7.36571 4.87986 9.17137 8.74203 numMergedOcc 0
35 mol 192 unq 3 iso 1 dist 9.10569 4.87986 9.17137 5.41356 7.36571 8.74203 numMergedOcc 0
36 mol 192 unq 3 iso 0 dist 9.10569 8.1874 9.80122 4.87986 9.17137 8.95038 numMergedOcc 0
37 mol 192 unq 3 iso 1 dist 9.10569 4.87986 9.17137 8.1874 9.80122 8.95038 numMergedOcc 0
38 mol 204 unq 0 iso 0 dist 8.40718 12.4189 6.20044 12.8445 8.41232 6.2357 numMergedOcc 0
39 mol 204 unq 0 iso 1 dist 8.40718 12.8445 8.41232 12.4189 6.20044 6.2357 numMergedOcc 0
40 mol 243 unq 0 iso 0 dist 7.93817 4.73439 7.70472 9.17097 9.16988 4.56434 numMergedOcc 0
41 mol 243 unq 0 iso 1 dist 7.93817 9.17097 9.16988 4.73439 7.70472 4.56434 numMergedOcc 0
42 mol 244 unq 0 iso 0 dist 9.53211 11.4783 7.43391 4.30655 7.79787 12.5222 numMergedOcc 0
43 mol 244 unq 0 iso 1 dist 9.53211 4.30655 7.79787 11.4783 7.43391 12.5222 numMergedOcc 0
44 mol 258 unq 0 iso 0 dist 9.17911 15.4705 8.10903 13.8539 7.25618 5.31174 numMergedOcc 0
45 mol 258 unq 0 iso 1 dist 9.17911 13.8539 7.25618 15.4705 8.10903 5.31174 numMergedOcc 0
46 mol 258 unq 1 iso 0 dist 9.46746 3.74614 9.48772 10.7968 5.53369 9.10334 numMergedOcc 0
47 mol 258 unq 1 iso 1 dist 9.46746 10.7968 5.53369 3.74614 9.48772 9.10334 numMergedOcc 0
48 mol 258 unq 2 iso 0 dist 9.46746 3.74614 9.48772 12.9568 8.57274 10.4538 numMergedOcc 0
49 mol 258 unq 2 iso 1 dist 9.46746 12.9568 8.57274 3.74614 9.48772 10.4538 numMergedOcc 0
50 mol 258 unq 2 iso 0 dist 9.46746 10.7968 5.53369 12.9568 8.57274 6.94631 numMergedOcc 0
51 mol 258 unq 2 iso 1 dist 9.46746 12.9568 8.57274 10.7968 5.53369 6.94631 numMergedOcc 0
52 mol 258 unq 3 iso 0 dist 7.31698 6.89961 9.48772 4.91726 5.53369 9.10334 numMergedOcc 0
53 mol 258 unq 3 iso 1 dist 7.31698 4.91726 5.53369 6.89961 9.48772 9.10334 numMergedOcc 0
54 mol 258 unq 4 iso 0 dist 7.31698 6.89961 9.48772 10.693 8.57274 10.4538 numMergedOcc 0
55 mol 258 unq 4 iso 1 dist 7.31698 10.693 8.57274 6.89961 9.48772 10.4538 numMergedOcc 0
56 mol 258 unq 4 iso 0 dist 7.31698 4.91726 5.53369 10.693 8.57274 6.94631 numMergedOcc 0
57 mol 258 unq 4 iso 1 dist 7.31698 10.693 8.57274 4.91726 5.53369 6.94631 numMergedOcc 0
58 mol 258 unq 5 iso 0 dist 9.52903 5.66907 8.10903 9.6053 7.25618 5.31174 numMergedOcc 0
59 mol 258 unq 5 iso 1 dist 9.52903 9.6053 7.25618 5.66907 8.10903 5.31174 numMergedOcc 0
60 mol 259 unq 0 iso 0 dist 8.06908 5.99165 8.54422 4.78344 7.67473 4.85022 numMergedOcc 0
61 mol 259 unq 0 iso 1 dist 8.06908 4.78344 7.67473 5.99165 8.54422 4.85022 numMergedOcc 0
62 mol 273 unq 0 iso 0 dist 9.80002 5.87385 5.78262 10.5975 7.6489 8.60201 numMergedOcc 0
63 mol 273 unq 0 iso 1 dist 9.80002 10.5975 7.6489 5.87385 5.78262 8.60201 numMergedOcc 0
64 mol 273 unq 1 iso 0 dist 6.73794 3.92089 5.78262 12.0094 7.6489 8.60201 numMergedOcc 0
65 mol 273 unq 1 iso 1 dist 6.73794 12.0094 7.6489 3.92089 5.78262 8.60201 numMergedOcc 0
66 mol 285 unq 0 iso 0 dist 5.76796 11.2606 7.872 8.7778 6.32984 8.70014 numMergedOcc 0
67 mol 285 unq 0 iso 1 dist 5.76796 8.7778 6.32984 11.2606 7.872 8.70014 numMergedOcc 0
68 mol 287 unq 0 iso 0 dist 6.76192 8.37461 6.96774 4.03583 7.14859 7.11169 numMergedOcc 0
69 mol 287 unq 0 iso 1 dist 6.76192 4.03583 7.14859 8.37461 6.96774 7.11169 numMergedOcc 0
70 mol 288 unq 0 iso 0 dist 6.76192 8.37461 6.96774 4.03583 7.14859 7.11169 numMergedOcc 0
71 mol 288 unq 0 iso 1 dist 6.76192 4.03583 7.14859 8.37461 6.96774 7.11169 numMergedOcc 0
72 mol 289 unq 0 iso 0 dist 6.76192 8.37461 6.96774 4.03583 7.14859 7.11169 numMergedOcc 0
73 mol 289 unq 0 iso 1 dist 6.76192 4.03583 7.14859 8.37461 6.96774 7.11169 numMergedOcc 0
