REMARK  Name = BDB016775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.760   1.210   1.674  0.00  0.00    +0.261 C 
ATOM      2  N   LIG    1       -0.993   1.611   0.594  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1       -1.508   1.774  -0.259  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.426   1.420   2.835  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -4.640  -1.623  -2.267  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1       -5.217  -1.299  -0.920  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -4.536  -0.599   0.094  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1       -5.100  -0.323   1.339  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.126   0.382   2.096  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -2.998   0.554   1.314  0.00  0.00    +0.103 A 
ATOM     11  C   LIG    1       -6.411  -0.756   1.607  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -7.115  -1.451   0.621  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -3.261  -0.076   0.118  0.00  0.00    -0.350 N 
ATOM     14  H   LIG    1       -2.595  -0.175  -0.633  0.00  0.00    +0.166 HD
ATOM     15  C   LIG    1       -6.527  -1.716  -0.614  0.00  0.00    +0.005 A 
ENDBRANCH   1  10
BRANCH   2  16
ATOM     16  C   LIG    1        0.221   2.404   0.791  0.00  0.00    +0.073 C 
ATOM     17  C   LIG    1        1.305   1.578   1.516  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        2.717   1.957   1.079  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        2.928   1.717  -0.427  0.00  0.00    +0.073 C 
ATOM     20  C   LIG    1        1.657   1.977  -1.252  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1        0.721   2.959  -0.556  0.00  0.00    +0.024 C 
BRANCH  19  22
ATOM     22  N   LIG    1        3.410   0.364  -0.675  0.00  0.00    -0.312 N 
ATOM     23  H   LIG    1        2.744  -0.397  -0.627  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        4.750   0.042  -0.568  0.00  0.00    +0.214 C 
ATOM     25  O   LIG    1        5.631   0.870  -0.365  0.00  0.00    -0.276 OA
BRANCH  24  26
ATOM     26  C   LIG    1        5.009  -1.443  -0.716  0.00  0.00    +0.110 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.502  -1.750  -0.725  0.00  0.00    +0.087 C 
BRANCH  27  28
ATOM     28  N   LIG    1        6.731  -3.190  -0.856  0.00  0.00    -0.330 NA
ATOM     29  H   LIG    1        7.737  -3.359  -0.896  0.00  0.00    +0.118 HD
ATOM     30  H   LIG    1        6.405  -3.664  -0.014  0.00  0.00    +0.118 HD
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  19  22
ENDBRANCH   2  16
TORSDOF 6