REMARK  Name = BDB059138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.793  -1.626   0.404  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.239  -1.952  -0.678  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        1.252  -0.833  -0.506  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.242  -0.622   1.007  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.127  -0.858   1.431  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  12
ATOM      6  C   LIG    1       -3.406   0.711  -0.598  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.856  -0.496  -1.202  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1       -2.916  -1.467  -0.883  0.00  0.00    +0.149 A 
ATOM      9  N   LIG    1       -2.931  -2.758  -1.261  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1       -4.014  -3.035  -2.009  0.00  0.00    +0.225 A 
ATOM     11  N   LIG    1       -4.996  -2.199  -2.393  0.00  0.00    -0.220 NA
ATOM     12  N   LIG    1       -1.938  -0.885  -0.111  0.00  0.00    -0.302 N 
ATOM     13  C   LIG    1       -4.940  -0.913  -1.990  0.00  0.00    +0.130 A 
ATOM     14  C   LIG    1       -2.224   0.446   0.060  0.00  0.00    +0.107 A 
BRANCH  13  15
ATOM     15  N   LIG    1       -5.968  -0.082  -2.407  0.00  0.00    -0.342 N 
ATOM     16  H   LIG    1       -6.476  -0.482  -3.186  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -5.736   0.900  -2.466  0.00  0.00    +0.144 HD
ENDBRANCH  13  15
BRANCH   6  19
ATOM     18  C   LIG    1       -4.538   3.080  -0.666  0.00  0.00    +0.009 C 
ATOM     19  C   LIG    1       -4.022   1.997  -0.635  0.00  0.00    -0.067 C 
ENDBRANCH   6  19
ENDBRANCH   1  12
BRANCH   2  20
ATOM     20  O   LIG    1        0.902  -3.208  -0.416  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1        0.243  -3.909  -0.582  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1        2.524  -1.221  -1.016  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1        2.589  -2.185  -0.847  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1        1.680   0.778   1.488  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.183   0.967   1.555  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1        3.934   1.257   0.405  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        5.320   1.422   0.481  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.965   1.299   1.709  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        7.670   1.504   1.805  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        5.236   1.010   2.860  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        3.851   0.843   2.783  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  O   LIG    1        1.083   1.812   0.698  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1        1.571   2.632   0.890  0.00  0.00    +0.210 HD
ENDBRANCH  24  32
ENDBRANCH   4  24
TORSDOF 8