REMARK  Name = BDB004131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.278  -1.400   3.407  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        2.487  -0.998   2.036  0.00  0.00    -0.265 N 
ATOM      3  C   LIG    1        1.523  -0.623   1.144  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        2.213  -0.328  -0.030  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.461   0.175  -1.114  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        0.067   0.303  -1.007  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -0.606  -0.051   0.164  0.00  0.00    -0.023 A 
ATOM      8  C   LIG    1        3.604  -0.589   0.263  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.127  -0.503   1.271  0.00  0.00    +0.036 A 
ATOM     10  N   LIG    1        3.737  -0.920   1.562  0.00  0.00    -0.154 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1        4.732  -0.469  -0.600  0.00  0.00    -0.213 N 
ATOM     12  C   LIG    1        4.599  -0.805  -1.942  0.00  0.00    +0.318 C 
ATOM     13  O   LIG    1        3.563  -1.169  -2.503  0.00  0.00    -0.251 OA
ATOM     14  N   LIG    1        5.717  -0.841  -2.728  0.00  0.00    -0.239 N 
ATOM     15  H   LIG    1        5.348  -1.126  -3.629  0.00  0.00    +0.159 HD
ATOM     16  C   LIG    1        6.391   0.322  -2.938  0.00  0.00    +0.224 C 
ATOM     17  O   LIG    1        6.309   0.916  -4.011  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.359   0.741  -1.857  0.00  0.00    +0.124 C 
ATOM     19  C   LIG    1        7.053   0.321  -0.460  0.00  0.00    -0.002 C 
ATOM     20  C   LIG    1        5.917  -0.165   0.058  0.00  0.00    +0.083 C 
ENDBRANCH   8  11
BRANCH   7  21
ATOM     21  C   LIG    1       -2.063   0.130   0.220  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -2.894  -0.715   0.851  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.363  -0.557   0.914  0.00  0.00    +0.332 C 
ATOM     24  O   LIG    1       -5.063  -1.348   1.526  0.00  0.00    -0.246 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -4.773   0.534   0.230  0.00  0.00    -0.456 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -6.181   0.878   0.158  0.00  0.00    +0.106 C 
ATOM     27  C   LIG    1       -6.227   2.155  -0.694  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1       -6.748   1.194   1.546  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1       -6.984  -0.216  -0.554  0.00  0.00    +0.055 C 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   7  21
TORSDOF 5