REMARK  Name = BDB013983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.960  -1.409  -0.346  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.946  -0.564   0.421  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.305   0.527   0.892  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.347  -1.051   0.600  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.859  -2.326   0.156  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.102  -3.506  -0.023  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.765  -4.687  -0.460  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.129  -4.727  -0.721  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.875  -3.581  -0.548  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.369  -3.744   0.239  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.249  -2.409  -0.116  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.284  -2.580   0.553  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.278   0.117  -1.752  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.138  -0.565  -0.555  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.414  -0.038   0.265  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.681  -0.204  -2.776  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.187   1.363  -1.684  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.551   1.035  -1.081  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        2.422   3.033  -1.613  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        3.541   2.432  -0.888  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        3.172   2.048  -0.016  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.253  -0.141   1.329  0.00  0.00    +0.151 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.954   0.932   0.515  0.00  0.00    -0.004 A 
ATOM     24  C   LIG    1       -2.924   1.784   1.114  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -3.553   2.764   0.314  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.522   3.626   0.860  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -4.879   3.532   2.203  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.271   2.580   3.011  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -3.183   2.849  -1.027  0.00  0.00    +0.119 A 
ATOM     30  N   LIG    1       -2.263   2.061  -1.618  0.00  0.00    -0.262 NA
ATOM     31  C   LIG    1       -3.308   1.719   2.476  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -1.671   1.133  -0.836  0.00  0.00    +0.116 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5