/
m.pqr
141 lines (141 loc) · 10.2 KB
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m.pqr
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COMPND m.pdb
AUTHOR GENERATED BY OPEN BABEL 2.3.2
HETATM 1 N UNK 0 -16.879 -6.663 4.283 -0.21839595 1.550 N
HETATM 2 N UNK 0 -16.353 -3.471 5.930 -0.30894941 1.550 N
HETATM 3 N UNK 0 -14.996 -4.177 1.329 -0.35312684 1.550 N
HETATM 4 C UNK 0 -16.983 -5.189 4.273 0.12888251 1.700 C
HETATM 5 C UNK 0 -17.719 -1.616 6.813 -0.04423241 1.700 C
HETATM 6 C UNK 0 -16.719 -3.236 8.399 -0.04423241 1.700 C
HETATM 7 C UNK 0 -15.326 -1.626 7.119 -0.04423241 1.700 C
HETATM 8 C UNK 0 -19.499 -8.191 -5.925 -0.04302499 1.700 C
HETATM 9 C UNK 0 -19.417 -5.803 -6.357 -0.04302499 1.700 C
HETATM 10 C UNK 0 -19.918 -7.922 -4.625 -0.05398203 1.700 C
HETATM 11 C UNK 0 -19.831 -5.555 -5.053 -0.05398203 1.700 C
HETATM 12 C UNK 0 -19.816 -5.891 1.772 -0.05384269 1.700 C
HETATM 13 C UNK 0 -17.660 -6.737 1.375 -0.05384269 1.700 C
HETATM 14 C UNK 0 -18.313 -1.820 1.837 -0.04269316 1.700 C
HETATM 15 C UNK 0 -20.134 -6.020 0.395 -0.01962597 1.700 C
HETATM 16 C UNK 0 -17.962 -6.875 0.011 -0.01962597 1.700 C
HETATM 17 C UNK 0 -17.977 -2.850 2.707 -0.05087457 1.700 C
HETATM 18 C UNK 0 -16.362 -2.297 0.499 -0.01943456 1.700 C
HETATM 19 C UNK 0 -20.500 -6.339 -2.744 0.11463265 1.700 C
HETATM 20 C UNK 0 -18.214 -6.067 3.822 0.04021154 1.700 C
HETATM 21 C UNK 0 -17.288 -4.325 5.483 0.23654212 1.700 C
HETATM 22 C UNK 0 -14.110 -6.090 2.645 0.33806953 1.700 C
HETATM 23 C UNK 0 -19.250 -7.122 -6.780 0.04099555 1.700 C
HETATM 24 C UNK 0 -17.497 -1.564 0.740 0.04295195 1.700 C
HETATM 25 C UNK 0 -20.078 -6.608 -4.180 -0.01031554 1.700 C
HETATM 26 C UNK 0 -18.558 -6.219 2.309 -0.03172162 1.700 C
HETATM 27 C UNK 0 -19.195 -6.512 -0.525 0.12100496 1.700 C
HETATM 28 C UNK 0 -15.095 -5.013 2.369 0.09336452 1.700 C
HETATM 29 C UNK 0 -16.225 -4.642 3.108 0.01371946 1.700 C
HETATM 30 C UNK 0 -16.033 -3.319 1.350 0.04851447 1.700 C
HETATM 31 C UNK 0 -16.836 -3.594 2.447 0.00538085 1.700 C
HETATM 32 C UNK 0 -16.534 -2.543 7.052 0.02621937 1.700 C
HETATM 33 O UNK 0 -18.397 -4.416 5.959 -0.27365475 1.520 O
HETATM 34 O UNK 0 -13.188 -6.228 1.805 -0.18009190 1.520 O
HETATM 35 O UNK 0 -14.220 -6.824 3.644 -0.18009190 1.520 O
HETATM 36 O UNK 0 -19.382 -6.724 -1.900 -0.48737799 1.520 O
HETATM 37 Cl UNK 0 -18.703 -7.432 -8.452 -0.08354126 1.750 Cl
HETATM 38 Cl UNK 0 -17.863 -0.283 -0.423 -0.08347432 1.750 Cl
HETATM 39 H UNK 0 -18.056 -5.012 4.205 0.06233215 1.100 H
HETATM 40 H UNK 0 -18.020 -1.672 5.767 0.02500481 1.100 H
HETATM 41 H UNK 0 -16.417 -2.561 9.200 0.02500481 1.100 H
HETATM 42 H UNK 0 -15.031 -1.488 8.159 0.02500481 1.100 H
HETATM 43 H UNK 0 -19.369 -9.218 -6.266 0.06321632 1.100 H
HETATM 44 H UNK 0 -19.225 -4.976 -7.041 0.06321632 1.100 H
HETATM 45 H UNK 0 -20.124 -8.749 -3.945 0.06217917 1.100 H
HETATM 46 H UNK 0 -19.963 -4.528 -4.713 0.06217917 1.100 H
HETATM 47 H UNK 0 -20.586 -5.519 2.448 0.06218335 1.100 H
HETATM 48 H UNK 0 -16.675 -7.050 1.722 0.06218335 1.100 H
HETATM 49 H UNK 0 -19.206 -1.220 2.012 0.06322617 1.100 H
HETATM 50 H UNK 0 -21.125 -5.732 0.045 0.06540940 1.100 H
HETATM 51 H UNK 0 -17.201 -7.282 -0.655 0.06540940 1.100 H
HETATM 52 H UNK 0 -18.598 -3.069 3.576 0.06246125 1.100 H
HETATM 53 H UNK 0 -15.730 -2.069 -0.359 0.06527849 1.100 H
HETATM 54 H UNK 0 -21.381 -6.930 -2.494 0.07476528 1.100 H
HETATM 55 H UNK 0 -18.200 -5.002 4.054 0.04901915 1.100 H
HETATM 56 H UNK 0 -15.459 -3.467 5.459 0.14925319 1.100 H
HETATM 57 H UNK 0 -14.260 -4.188 0.638 0.16576296 1.100 H
HETATM 58 H UNK 0 -18.981 -6.634 4.350 0.04901915 1.100 H
HETATM 59 H UNK 0 -18.552 -1.919 7.448 0.02500481 1.100 H
HETATM 60 H UNK 0 -17.767 -3.507 8.528 0.02500481 1.100 H
HETATM 61 H UNK 0 -14.501 -2.070 6.563 0.02500481 1.100 H
HETATM 62 H UNK 0 -20.755 -5.289 -2.601 0.07476528 1.100 H
HETATM 63 H UNK 0 -15.579 -0.660 6.682 0.02500481 1.100 H
HETATM 64 H UNK 0 -17.433 -0.592 7.053 0.02500481 1.100 H
HETATM 65 H UNK 0 -16.105 -4.136 8.431 0.02500481 1.100 H
CONECT 1 4 20
CONECT 2 21 32 56
CONECT 3 28 30 57
CONECT 4 1 21 29 39
CONECT 4
CONECT 5 32 40 59 64
CONECT 5
CONECT 6 32 41 60 65
CONECT 6
CONECT 7 32 42 61 63
CONECT 7
CONECT 8 10 23 43
CONECT 9 11 23 44
CONECT 10 8 25 45
CONECT 11 9 25 46
CONECT 12 15 26 47
CONECT 13 16 26 48
CONECT 14 17 24 49
CONECT 15 12 27 50
CONECT 16 13 27 51
CONECT 17 14 31 52
CONECT 18 24 30 53
CONECT 19 25 36 54 62
CONECT 19
CONECT 20 1 26 55 58
CONECT 20
CONECT 21 2 4 33
CONECT 22 28 34 35
CONECT 23 8 9 37
CONECT 24 14 18 38
CONECT 25 10 11 19
CONECT 26 12 13 20
CONECT 27 15 16 36
CONECT 28 3 22 29
CONECT 29 4 28 31
CONECT 30 3 18 31
CONECT 31 17 29 30
CONECT 32 2 5 6 7
CONECT 32
CONECT 33 21
CONECT 34 22
CONECT 35 22
CONECT 36 19 27
CONECT 37 23
CONECT 38 24
CONECT 39 4
CONECT 40 5
CONECT 41 6
CONECT 42 7
CONECT 43 8
CONECT 44 9
CONECT 45 10
CONECT 46 11
CONECT 47 12
CONECT 48 13
CONECT 49 14
CONECT 50 15
CONECT 51 16
CONECT 52 17
CONECT 53 18
CONECT 54 19
CONECT 55 20
CONECT 56 2
CONECT 57 3
CONECT 58 20
CONECT 59 5
CONECT 60 6
CONECT 61 7
CONECT 62 19
CONECT 63 7
CONECT 64 5
CONECT 65 6
MASTER 0 0 0 0 0 0 0 0 65 0 65 0
END