0 mol 4 unq 0 iso 0 dist 8.67981 11.5212 6.12485 9.6245 7.88748 4.10578 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 8.67981 3.6405 9.04027 9.6245 7.88748 6.87439 numMergedOcc 0
2 mol 6 unq 0 iso 0 dist 9.38351 13.9523 6.36157 14.255 9.56016 4.75733 numMergedOcc 0
3 mol 6 unq 1 iso 0 dist 8.30543 5.89121 8.31647 6.38732 7.54484 7.50895 numMergedOcc 0
4 mol 6 unq 2 iso 0 dist 9.94843 5.7654 8.31647 12.5999 7.54484 7.50895 numMergedOcc 0
5 mol 29 unq 0 iso 0 dist 6.73481 9.50033 7.50258 3.97609 6.04161 5.97852 numMergedOcc 0
6 mol 33 unq 0 iso 0 dist 8.41842 10.8869 8.04019 11.8297 7.82815 3.85975 numMergedOcc 0
7 mol 33 unq 1 iso 0 dist 8.41842 10.1727 7.44828 11.8297 7.82815 13.4442 numMergedOcc 0
8 mol 51 unq 0 iso 0 dist 8.55004 7.24502 8.84151 7.23303 7.73836 5.2887 numMergedOcc 0
9 mol 67 unq 0 iso 0 dist 8.34804 10.7182 8.27009 3.77705 6.44825 11.2455 numMergedOcc 0
10 mol 67 unq 1 iso 0 dist 8.34804 5.66613 5.80736 3.77705 6.44825 3.83735 numMergedOcc 0
11 mol 71 unq 0 iso 0 dist 8.39608 3.91691 8.92529 10.3685 7.50921 7.78799 numMergedOcc 0
12 mol 71 unq 1 iso 0 dist 7.28815 10.1018 8.92529 9.85206 7.50921 7.78799 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 9.34752 10.0813 5.2184 11.6896 8.93181 3.84072 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.41858 4.62337 5.2184 3.9434 8.93181 3.84072 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 7.13958 4.74644 7.6453 9.63308 9.31543 9.82512 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 7.13958 4.74644 7.6453 9.05571 8.85652 6.31483 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 7.17051 5.9683 9.2759 3.75291 5.9959 4.85121 numMergedOcc 0
18 mol 139 unq 0 iso 0 dist 5.77343 4.19005 8.78382 4.37138 7.20542 3.82037 numMergedOcc 0
19 mol 168 unq 0 iso 0 dist 9.60268 9.78459 9.11481 5.4035 7.337 4.66376 numMergedOcc 0
20 mol 168 unq 1 iso 0 dist 8.79954 9.70858 9.11481 6.46155 7.337 4.66376 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 6.20851 5.93953 6.19457 9.12839 9.67711 10.9652 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 5.31333 4.43567 9.2254 9.03587 5.27578 12.8633 numMergedOcc 0
23 mol 187 unq 0 iso 0 dist 5.82577 10.7172 5.58167 5.93957 5.7938 8.06583 numMergedOcc 0
24 mol 187 unq 1 iso 0 dist 5.82577 4.75665 8.0501 5.93957 5.7938 3.94358 numMergedOcc 0
25 mol 192 unq 0 iso 0 dist 8.86627 8.61606 7.36571 9.82173 5.77035 6.62595 numMergedOcc 0
26 mol 192 unq 1 iso 0 dist 8.86627 4.25327 9.80122 9.82173 5.77035 9.6618 numMergedOcc 0
27 mol 192 unq 2 iso 0 dist 8.86627 4.97164 9.17137 9.82173 5.77035 12.1003 numMergedOcc 0
28 mol 192 unq 3 iso 0 dist 9.10569 5.41356 7.36571 9.52963 5.77035 6.62595 numMergedOcc 0
29 mol 192 unq 4 iso 0 dist 9.10569 8.1874 9.80122 9.52963 5.77035 9.6618 numMergedOcc 0
30 mol 192 unq 5 iso 0 dist 9.10569 4.87986 9.17137 9.52963 5.77035 12.1003 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 8.57123 7.68439 9.38188 6.53531 6.63935 6.37117 numMergedOcc 0
32 mol 204 unq 1 iso 0 dist 8.40718 12.4189 6.20044 12.5259 5.81438 7.35194 numMergedOcc 0
33 mol 204 unq 2 iso 0 dist 8.40718 12.8445 8.41232 12.5259 5.81438 5.87202 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 7.55333 6.67537 5.86839 3.69062 6.50586 3.73699 numMergedOcc 0
35 mol 211 unq 0 iso 0 dist 9.26542 9.86881 5.6998 7.47487 8.25586 5.41937 numMergedOcc 0
36 mol 220 unq 0 iso 0 dist 8.55805 4.74145 6.39087 5.06821 8.63649 4.4227 numMergedOcc 0
37 mol 225 unq 0 iso 0 dist 7.47852 5.9027 7.65121 11.1052 8.94981 11.8703 numMergedOcc 0
38 mol 225 unq 1 iso 0 dist 7.47852 5.9027 7.65121 3.60045 5.90986 4.88404 numMergedOcc 0
39 mol 225 unq 2 iso 0 dist 7.47852 5.9027 7.65121 10.6169 7.50697 13.6563 numMergedOcc 0
40 mol 225 unq 3 iso 0 dist 6.22332 4.95393 7.65121 13.5289 8.94981 11.8703 numMergedOcc 0
41 mol 225 unq 4 iso 0 dist 6.22332 4.95393 7.65121 6.40342 5.90986 4.88404 numMergedOcc 0
42 mol 225 unq 5 iso 0 dist 6.22332 4.95393 7.65121 9.92088 7.50697 13.6563 numMergedOcc 0
43 mol 226 unq 0 iso 0 dist 7.54614 12.983 8.74399 10.2945 8.31266 5.27153 numMergedOcc 0
44 mol 258 unq 0 iso 0 dist 9.17911 15.4705 8.10903 11.5766 9.6327 8.78474 numMergedOcc 0
45 mol 258 unq 1 iso 0 dist 9.17911 13.8539 7.25618 11.5766 9.6327 11.3267 numMergedOcc 0
46 mol 258 unq 2 iso 0 dist 9.46746 3.74614 9.48772 9.21014 9.81589 9.73819 numMergedOcc 0
47 mol 258 unq 3 iso 0 dist 9.46746 10.7968 5.53369 9.21014 9.81589 8.86983 numMergedOcc 0
48 mol 258 unq 4 iso 0 dist 9.46746 12.9568 8.57274 9.21014 9.81589 15.1125 numMergedOcc 0
49 mol 258 unq 5 iso 0 dist 7.31698 6.89961 9.48772 4.58093 9.81589 9.73819 numMergedOcc 0
50 mol 258 unq 6 iso 0 dist 7.31698 4.91726 5.53369 4.58093 9.81589 8.86983 numMergedOcc 0
51 mol 258 unq 7 iso 0 dist 7.31698 10.693 8.57274 4.58093 9.81589 15.1125 numMergedOcc 0
52 mol 258 unq 8 iso 0 dist 9.52903 5.66907 8.10903 11.7204 9.6327 8.78474 numMergedOcc 0
53 mol 258 unq 9 iso 0 dist 9.52903 9.6053 7.25618 11.7204 9.6327 11.3267 numMergedOcc 0
54 mol 259 unq 0 iso 0 dist 8.06908 5.99165 8.54422 5.49348 8.40328 11.0103 numMergedOcc 0
55 mol 259 unq 1 iso 0 dist 8.06908 5.99165 8.54422 5.13138 8.2518 10.099 numMergedOcc 0
56 mol 259 unq 2 iso 0 dist 8.06908 4.78344 7.67473 5.49348 8.40328 8.71577 numMergedOcc 0
57 mol 259 unq 3 iso 0 dist 8.06908 4.78344 7.67473 5.13138 8.2518 6.47425 numMergedOcc 0
58 mol 266 unq 0 iso 0 dist 9.33791 8.55958 8.8646 3.79641 8.62843 9.70494 numMergedOcc 0
59 mol 273 unq 0 iso 0 dist 9.80002 5.87385 5.78262 10.6534 8.66133 5.53908 numMergedOcc 0
60 mol 273 unq 1 iso 0 dist 9.80002 5.87385 5.78262 15.8245 6.95569 12.7125 numMergedOcc 0
61 mol 273 unq 2 iso 0 dist 9.80002 10.5975 7.6489 10.6534 8.66133 12.7274 numMergedOcc 0
62 mol 273 unq 3 iso 0 dist 9.80002 10.5975 7.6489 15.8245 6.95569 10.8576 numMergedOcc 0
63 mol 273 unq 4 iso 0 dist 6.73794 3.92089 5.78262 3.80794 8.66133 5.53908 numMergedOcc 0
64 mol 273 unq 5 iso 0 dist 6.73794 3.92089 5.78262 13.255 6.95569 12.7125 numMergedOcc 0
65 mol 273 unq 6 iso 0 dist 6.73794 12.0094 7.6489 3.80794 8.66133 12.7274 numMergedOcc 0
66 mol 273 unq 7 iso 0 dist 6.73794 12.0094 7.6489 13.255 6.95569 10.8576 numMergedOcc 0
67 mol 277 unq 0 iso 0 dist 6.70414 12.5633 8.15119 12.2421 9.91103 13.1828 numMergedOcc 0
68 mol 277 unq 1 iso 0 dist 6.70414 12.5633 8.15119 10.9521 7.0603 10.6994 numMergedOcc 0
69 mol 280 unq 0 iso 0 dist 6.0218 4.65268 4.45141 5.55901 7.4869 4.06908 numMergedOcc 0
70 mol 283 unq 0 iso 0 dist 8.89292 4.02114 9.28067 3.72864 7.18295 5.62752 numMergedOcc 0
71 mol 283 unq 1 iso 0 dist 8.43009 4.02114 5.71075 3.72864 9.19367 5.62752 numMergedOcc 0
72 mol 285 unq 0 iso 0 dist 5.76796 11.2606 7.872 9.11313 5.49829 3.05975 numMergedOcc 0
73 mol 285 unq 1 iso 0 dist 5.76796 11.2606 7.872 6.01574 6.24134 11.5704 numMergedOcc 0
74 mol 285 unq 2 iso 0 dist 5.76796 8.7778 6.32984 9.11313 5.49829 5.76392 numMergedOcc 0
75 mol 285 unq 3 iso 0 dist 5.76796 8.7778 6.32984 6.01574 6.24134 4.4744 numMergedOcc 0
76 mol 286 unq 0 iso 0 dist 8.97304 5.95493 6.83763 9.05338 6.64391 3.67621 numMergedOcc 0
77 mol 287 unq 0 iso 0 dist 7.47179 6.53276 6.45597 9.23896 6.06665 5.19406 numMergedOcc 0
78 mol 287 unq 1 iso 0 dist 6.76192 8.37461 6.96774 5.64662 7.19568 3.85958 numMergedOcc 0
79 mol 287 unq 2 iso 0 dist 6.76192 4.03583 7.14859 5.64662 7.19568 5.93557 numMergedOcc 0
80 mol 288 unq 0 iso 0 dist 7.47179 6.53276 6.45597 9.23896 6.06665 5.19406 numMergedOcc 0
81 mol 288 unq 1 iso 0 dist 6.76192 8.37461 6.96774 5.64662 7.19568 3.85958 numMergedOcc 0
82 mol 288 unq 2 iso 0 dist 6.76192 4.03583 7.14859 5.64662 7.19568 5.93557 numMergedOcc 0
83 mol 289 unq 0 iso 0 dist 7.47179 6.53276 6.45597 9.23896 6.06665 5.19406 numMergedOcc 0
84 mol 289 unq 1 iso 0 dist 6.76192 8.37461 6.96774 5.64662 7.19568 3.85958 numMergedOcc 0
85 mol 289 unq 2 iso 0 dist 6.76192 4.03583 7.14859 5.64662 7.19568 5.93557 numMergedOcc 0
