REMARK  Name = BDB051759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.062   1.453   0.551  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.782   2.111   0.045  0.00  0.00    +0.047 C 
BRANCH   2   3
ATOM      3  C   LIG    1        0.382   1.139  -0.110  0.00  0.00    +0.263 C 
BRANCH   3   4
ATOM      4  O   LIG    1        1.546   1.888  -0.455  0.00  0.00    -0.394 OA
BRANCH   4   7
ATOM      5  C   LIG    1        3.835   3.137  -0.898  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1        3.744   1.629  -0.778  0.00  0.00    +0.084 C 
ATOM      7  N   LIG    1        2.623   0.999  -0.570  0.00  0.00    -0.089 NA
BRANCH   6   8
ATOM      8  C   LIG    1        5.000   0.834  -0.894  0.00  0.00    -0.001 A 
ATOM      9  C   LIG    1        4.940  -0.451  -1.449  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        6.100  -1.224  -1.554  0.00  0.00    -0.044 A 
ATOM     11  C   LIG    1        6.092  -2.587  -2.193  0.00  0.00    +0.035 C 
ATOM     12  C   LIG    1        6.956  -3.579  -1.413  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1        8.275  -3.007  -0.870  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1        8.559  -1.558  -1.270  0.00  0.00    +0.035 C 
ATOM     15  C   LIG    1        7.327  -0.708  -1.103  0.00  0.00    -0.044 A 
ATOM     16  C   LIG    1        7.385   0.574  -0.553  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        6.223   1.341  -0.440  0.00  0.00    +0.010 A 
ENDBRANCH   6   8
ENDBRANCH   4   7
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -2.660   0.440  -0.421  0.00  0.00    +0.263 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -3.850  -0.110   0.152  0.00  0.00    -0.394 OA
BRANCH  19  20
ATOM     20  N   LIG    1       -4.951   0.682  -0.196  0.00  0.00    -0.089 NA
ATOM     21  C   LIG    1       -5.952   0.506   0.619  0.00  0.00    +0.088 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.971  -0.416   1.780  0.00  0.00    -0.001 A 
ATOM     23  C   LIG    1       -5.806  -1.790   1.579  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -5.854  -2.656   2.672  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -6.069  -2.149   3.954  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.238  -0.777   4.150  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.193   0.094   3.062  0.00  0.00    +0.010 A 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  C   LIG    1       -7.228   1.304   0.378  0.00  0.00    +0.070 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -7.359   1.808  -1.054  0.00  0.00    +0.127 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -7.585   0.678  -2.026  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1       -8.682   0.386  -2.478  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.463  -0.004  -2.345  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       -5.674   0.289  -1.826  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 13