REMARK  Name = BDB039291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.487  -2.313  -1.662  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.325  -2.219  -0.198  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.160  -2.100   0.230  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -1.798  -0.968  -0.475  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -1.665  -1.062  -1.940  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.166  -1.163  -2.320  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.036  -0.600   0.058  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -4.297  -1.153  -0.231  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1       -4.502  -2.279  -1.199  0.00  0.00    +0.067 C 
ATOM     10  N   LIG    1       -5.449  -0.714   0.349  0.00  0.00    -0.245 NA
ATOM     11  C   LIG    1       -5.370   0.282   1.261  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1       -4.176   0.875   1.633  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -3.010   0.422   1.022  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -6.665   0.728   1.873  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1       -6.791   2.095   2.085  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -6.159   2.712   1.592  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -8.046   2.642   2.534  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1       -7.552  -0.073   2.148  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1        1.868  -2.543  -2.098  0.00  0.00    +0.119 C 
BRANCH  19  29
ATOM     20  C   LIG    1        6.092   1.752   0.289  0.00  0.00    +0.259 C 
ATOM     21  C   LIG    1        6.155   0.496   1.175  0.00  0.00    +0.258 C 
ATOM     22  O   LIG    1        6.890   0.393   2.155  0.00  0.00    -0.271 OA
ATOM     23  N   LIG    1        5.268  -0.494   0.854  0.00  0.00    -0.280 N 
ATOM     24  H   LIG    1        5.231  -1.295   1.470  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1        4.529  -0.455  -0.327  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1        4.745   0.570  -1.248  0.00  0.00    +0.143 A 
ATOM     27  C   LIG    1        4.045   0.579  -2.451  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        3.113  -0.425  -2.723  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        2.878  -1.455  -1.798  0.00  0.00    -0.031 A 
ATOM     30  C   LIG    1        3.607  -1.466  -0.598  0.00  0.00    +0.032 A 
ATOM     31  O   LIG    1        5.664   1.567  -1.065  0.00  0.00    -0.478 OA
BRANCH  20  33
ATOM     32  C   LIG    1        5.737   3.401   2.216  0.00  0.00    +0.008 C 
ATOM     33  C   LIG    1        5.188   2.825   0.920  0.00  0.00    +0.051 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5