REMARK  Name = BDB003021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.275   0.555   0.426  0.00  0.00    +0.089 A 
ATOM      2  C   LIG    1       -2.620   0.204   0.117  0.00  0.00    +0.084 A 
ATOM      3  C   LIG    1       -3.446  -0.932   0.459  0.00  0.00    +0.198 C 
ATOM      4  C   LIG    1       -4.869  -0.869  -0.003  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -5.343   0.190  -0.805  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -4.439   1.305  -1.222  0.00  0.00    +0.229 C 
ATOM      7  O   LIG    1       -4.849   2.197  -1.955  0.00  0.00    -0.283 OA
ATOM      8  C   LIG    1       -6.680   0.203  -1.225  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -7.540  -0.830  -0.849  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -7.073  -1.878  -0.056  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.742  -1.901   0.366  0.00  0.00    +0.012 A 
ATOM     12  O   LIG    1       -3.025  -1.919   1.048  0.00  0.00    -0.286 OA
ATOM     13  C   LIG    1       -3.111   1.208  -0.683  0.00  0.00    +0.187 A 
ATOM     14  O   LIG    1       -2.160   2.143  -0.925  0.00  0.00    -0.455 OA
ATOM     15  C   LIG    1       -1.043   1.750  -0.245  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1        0.116   2.667  -0.333  0.00  0.00    +0.087 C 
ENDROOT
BRANCH   1  19
ATOM     17  N   LIG    1        0.926  -0.257   0.774  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        1.061  -0.079  -0.211  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -0.341  -0.137   1.294  0.00  0.00    +0.248 C 
ATOM     20  O   LIG    1       -0.662  -0.569   2.394  0.00  0.00    -0.270 OA
BRANCH  17  21
ATOM     21  C   LIG    1        1.922  -1.043   1.459  0.00  0.00    +0.139 C 
BRANCH  21  25
ATOM     22  C   LIG    1        5.771  -0.413  -0.401  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        5.298   0.483   0.557  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        4.055   0.271   1.164  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        3.273  -0.842   0.827  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        3.748  -1.732  -0.142  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        4.989  -1.518  -0.747  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1        7.809   0.765  -0.729  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        6.961  -0.324  -1.069  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  21  25
ENDBRANCH  17  21
ENDBRANCH   1  19
TORSDOF 4