REMARK  Name = BDB039574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.754  -1.317   1.063  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.177  -2.409   0.245  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.269  -2.721   0.694  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -1.215  -1.585   0.588  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.499  -0.287   0.661  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.771  -0.319   1.542  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.369   0.004  -0.536  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.388  -1.011   0.356  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        4.197  -1.411   0.878  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        4.276  -2.524   1.886  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        2.959  -0.834   0.529  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        2.995   0.214  -0.400  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        4.206   0.645  -0.939  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        8.190   2.315  -1.540  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        6.898   1.800  -1.162  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.300   2.394  -0.603  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        6.693   0.428  -1.093  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.529  -0.394  -1.450  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -2.036  -1.682  -0.628  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.162  -0.667  -0.669  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -4.116  -0.629   0.364  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -5.150   0.302   0.320  0.00  0.00    +0.053 A 
ATOM     23  N   LIG    1       -6.109   0.345   1.369  0.00  0.00    -0.320 N 
ATOM     24  H   LIG    1       -6.034  -0.301   2.144  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -7.186   1.232   1.434  0.00  0.00    +0.278 A 
ATOM     26  C   LIG    1       -7.282   2.157   0.316  0.00  0.00    +0.174 A 
ATOM     27  C   LIG    1       -6.353   2.107  -0.689  0.00  0.00    +0.169 A 
ATOM     28  O   LIG    1       -6.633   3.051  -1.619  0.00  0.00    -0.442 OA
ATOM     29  C   LIG    1       -7.759   3.641  -1.105  0.00  0.00    +0.309 A 
ATOM     30  N   LIG    1       -8.190   3.152   0.043  0.00  0.00    -0.211 NA
ATOM     31  O   LIG    1       -7.968   1.202   2.380  0.00  0.00    -0.265 OA
ATOM     32  C   LIG    1       -5.242   1.201  -0.766  0.00  0.00    +0.043 A 
ATOM     33  C   LIG    1       -4.308   1.168  -1.796  0.00  0.00    +0.014 A 
ATOM     34  C   LIG    1       -3.271   0.233  -1.746  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4