0 mol 4 unq 0 iso 0 dist 8.67981 11.5212 6.12485 3.6405 9.04027 9.77707 9.6245 7.88748 4.10578 6.87439 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 8.67981 3.6405 9.04027 11.5212 6.12485 9.77707 9.6245 7.88748 6.87439 4.10578 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 8.41842 10.8869 8.04019 10.1727 7.44828 14.7604 11.8297 7.82815 3.85975 13.4442 numMergedOcc 0
3 mol 33 unq 0 iso 1 dist 8.41842 10.1727 7.44828 10.8869 8.04019 14.7604 11.8297 7.82815 13.4442 3.85975 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 8.34804 10.7182 8.27009 5.66613 5.80736 8.61446 3.77705 6.44825 11.2455 3.83735 numMergedOcc 0
5 mol 67 unq 0 iso 1 dist 8.34804 5.66613 5.80736 10.7182 8.27009 8.61446 3.77705 6.44825 3.83735 11.2455 numMergedOcc 0
6 mol 187 unq 0 iso 0 dist 5.82577 10.7172 5.58167 4.75665 8.0501 11.6883 5.93957 5.7938 8.06583 3.94358 numMergedOcc 0
7 mol 187 unq 0 iso 1 dist 5.82577 4.75665 8.0501 10.7172 5.58167 11.6883 5.93957 5.7938 3.94358 8.06583 numMergedOcc 0
8 mol 192 unq 0 iso 0 dist 8.86627 8.61606 7.36571 4.25327 9.80122 11.1205 9.82173 5.77035 6.62595 9.6618 numMergedOcc 0
9 mol 192 unq 0 iso 1 dist 8.86627 4.25327 9.80122 8.61606 7.36571 11.1205 9.82173 5.77035 9.6618 6.62595 numMergedOcc 0
10 mol 192 unq 1 iso 0 dist 8.86627 8.61606 7.36571 4.97164 9.17137 8.74203 9.82173 5.77035 6.62595 12.1003 numMergedOcc 0
11 mol 192 unq 1 iso 1 dist 8.86627 4.97164 9.17137 8.61606 7.36571 8.74203 9.82173 5.77035 12.1003 6.62595 numMergedOcc 0
12 mol 192 unq 1 iso 0 dist 8.86627 4.25327 9.80122 4.97164 9.17137 8.95038 9.82173 5.77035 9.6618 12.1003 numMergedOcc 0
13 mol 192 unq 1 iso 1 dist 8.86627 4.97164 9.17137 4.25327 9.80122 8.95038 9.82173 5.77035 12.1003 9.6618 numMergedOcc 0
14 mol 192 unq 2 iso 0 dist 9.10569 5.41356 7.36571 8.1874 9.80122 11.1205 9.52963 5.77035 6.62595 9.6618 numMergedOcc 0
15 mol 192 unq 2 iso 1 dist 9.10569 8.1874 9.80122 5.41356 7.36571 11.1205 9.52963 5.77035 9.6618 6.62595 numMergedOcc 0
16 mol 192 unq 3 iso 0 dist 9.10569 5.41356 7.36571 4.87986 9.17137 8.74203 9.52963 5.77035 6.62595 12.1003 numMergedOcc 0
17 mol 192 unq 3 iso 1 dist 9.10569 4.87986 9.17137 5.41356 7.36571 8.74203 9.52963 5.77035 12.1003 6.62595 numMergedOcc 0
18 mol 192 unq 3 iso 0 dist 9.10569 8.1874 9.80122 4.87986 9.17137 8.95038 9.52963 5.77035 9.6618 12.1003 numMergedOcc 0
19 mol 192 unq 3 iso 1 dist 9.10569 4.87986 9.17137 8.1874 9.80122 8.95038 9.52963 5.77035 12.1003 9.6618 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 8.40718 12.4189 6.20044 12.8445 8.41232 6.2357 12.5259 5.81438 7.35194 5.87202 numMergedOcc 0
21 mol 204 unq 0 iso 1 dist 8.40718 12.8445 8.41232 12.4189 6.20044 6.2357 12.5259 5.81438 5.87202 7.35194 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 9.17911 15.4705 8.10903 13.8539 7.25618 5.31174 11.5766 9.6327 8.78474 11.3267 numMergedOcc 0
23 mol 258 unq 0 iso 1 dist 9.17911 13.8539 7.25618 15.4705 8.10903 5.31174 11.5766 9.6327 11.3267 8.78474 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 9.46746 3.74614 9.48772 10.7968 5.53369 9.10334 9.21014 9.81589 9.73819 8.86983 numMergedOcc 0
25 mol 258 unq 1 iso 1 dist 9.46746 10.7968 5.53369 3.74614 9.48772 9.10334 9.21014 9.81589 8.86983 9.73819 numMergedOcc 0
26 mol 258 unq 2 iso 0 dist 9.46746 3.74614 9.48772 12.9568 8.57274 10.4538 9.21014 9.81589 9.73819 15.1125 numMergedOcc 0
27 mol 258 unq 2 iso 1 dist 9.46746 12.9568 8.57274 3.74614 9.48772 10.4538 9.21014 9.81589 15.1125 9.73819 numMergedOcc 0
28 mol 258 unq 2 iso 0 dist 9.46746 10.7968 5.53369 12.9568 8.57274 6.94631 9.21014 9.81589 8.86983 15.1125 numMergedOcc 0
29 mol 258 unq 2 iso 1 dist 9.46746 12.9568 8.57274 10.7968 5.53369 6.94631 9.21014 9.81589 15.1125 8.86983 numMergedOcc 0
30 mol 258 unq 3 iso 0 dist 7.31698 6.89961 9.48772 4.91726 5.53369 9.10334 4.58093 9.81589 9.73819 8.86983 numMergedOcc 0
31 mol 258 unq 3 iso 1 dist 7.31698 4.91726 5.53369 6.89961 9.48772 9.10334 4.58093 9.81589 8.86983 9.73819 numMergedOcc 0
32 mol 258 unq 4 iso 0 dist 7.31698 6.89961 9.48772 10.693 8.57274 10.4538 4.58093 9.81589 9.73819 15.1125 numMergedOcc 0
33 mol 258 unq 4 iso 1 dist 7.31698 10.693 8.57274 6.89961 9.48772 10.4538 4.58093 9.81589 15.1125 9.73819 numMergedOcc 0
34 mol 258 unq 4 iso 0 dist 7.31698 4.91726 5.53369 10.693 8.57274 6.94631 4.58093 9.81589 8.86983 15.1125 numMergedOcc 0
35 mol 258 unq 4 iso 1 dist 7.31698 10.693 8.57274 4.91726 5.53369 6.94631 4.58093 9.81589 15.1125 8.86983 numMergedOcc 0
36 mol 258 unq 5 iso 0 dist 9.52903 5.66907 8.10903 9.6053 7.25618 5.31174 11.7204 9.6327 8.78474 11.3267 numMergedOcc 0
37 mol 258 unq 5 iso 1 dist 9.52903 9.6053 7.25618 5.66907 8.10903 5.31174 11.7204 9.6327 11.3267 8.78474 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 8.06908 5.99165 8.54422 4.78344 7.67473 4.85022 5.49348 8.40328 11.0103 8.71577 numMergedOcc 0
39 mol 259 unq 0 iso 1 dist 8.06908 4.78344 7.67473 5.99165 8.54422 4.85022 5.49348 8.40328 8.71577 11.0103 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 8.06908 5.99165 8.54422 4.78344 7.67473 4.85022 5.13138 8.2518 10.099 6.47425 numMergedOcc 0
41 mol 259 unq 1 iso 1 dist 8.06908 4.78344 7.67473 5.99165 8.54422 4.85022 5.13138 8.2518 6.47425 10.099 numMergedOcc 0
42 mol 273 unq 0 iso 0 dist 9.80002 5.87385 5.78262 10.5975 7.6489 8.60201 10.6534 8.66133 5.53908 12.7274 numMergedOcc 0
43 mol 273 unq 0 iso 1 dist 9.80002 10.5975 7.6489 5.87385 5.78262 8.60201 10.6534 8.66133 12.7274 5.53908 numMergedOcc 0
44 mol 273 unq 1 iso 0 dist 9.80002 5.87385 5.78262 10.5975 7.6489 8.60201 15.8245 6.95569 12.7125 10.8576 numMergedOcc 0
45 mol 273 unq 1 iso 1 dist 9.80002 10.5975 7.6489 5.87385 5.78262 8.60201 15.8245 6.95569 10.8576 12.7125 numMergedOcc 0
46 mol 273 unq 2 iso 0 dist 6.73794 3.92089 5.78262 12.0094 7.6489 8.60201 3.80794 8.66133 5.53908 12.7274 numMergedOcc 0
47 mol 273 unq 2 iso 1 dist 6.73794 12.0094 7.6489 3.92089 5.78262 8.60201 3.80794 8.66133 12.7274 5.53908 numMergedOcc 0
48 mol 273 unq 3 iso 0 dist 6.73794 3.92089 5.78262 12.0094 7.6489 8.60201 13.255 6.95569 12.7125 10.8576 numMergedOcc 0
49 mol 273 unq 3 iso 1 dist 6.73794 12.0094 7.6489 3.92089 5.78262 8.60201 13.255 6.95569 10.8576 12.7125 numMergedOcc 0
50 mol 285 unq 0 iso 0 dist 5.76796 11.2606 7.872 8.7778 6.32984 8.70014 9.11313 5.49829 3.05975 5.76392 numMergedOcc 0
51 mol 285 unq 0 iso 1 dist 5.76796 8.7778 6.32984 11.2606 7.872 8.70014 9.11313 5.49829 5.76392 3.05975 numMergedOcc 0
52 mol 285 unq 1 iso 0 dist 5.76796 11.2606 7.872 8.7778 6.32984 8.70014 6.01574 6.24134 11.5704 4.4744 numMergedOcc 0
53 mol 285 unq 1 iso 1 dist 5.76796 8.7778 6.32984 11.2606 7.872 8.70014 6.01574 6.24134 4.4744 11.5704 numMergedOcc 0
54 mol 287 unq 0 iso 0 dist 6.76192 8.37461 6.96774 4.03583 7.14859 7.11169 5.64662 7.19568 3.85958 5.93557 numMergedOcc 0
55 mol 287 unq 0 iso 1 dist 6.76192 4.03583 7.14859 8.37461 6.96774 7.11169 5.64662 7.19568 5.93557 3.85958 numMergedOcc 0
56 mol 288 unq 0 iso 0 dist 6.76192 8.37461 6.96774 4.03583 7.14859 7.11169 5.64662 7.19568 3.85958 5.93557 numMergedOcc 0
57 mol 288 unq 0 iso 1 dist 6.76192 4.03583 7.14859 8.37461 6.96774 7.11169 5.64662 7.19568 5.93557 3.85958 numMergedOcc 0
58 mol 289 unq 0 iso 0 dist 6.76192 8.37461 6.96774 4.03583 7.14859 7.11169 5.64662 7.19568 3.85958 5.93557 numMergedOcc 0
59 mol 289 unq 0 iso 1 dist 6.76192 4.03583 7.14859 8.37461 6.96774 7.11169 5.64662 7.19568 5.93557 3.85958 numMergedOcc 0
