REMARK  Name = BDB029503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.270   1.253   0.074  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.353   0.398   0.045  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -2.635   0.810   0.587  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -3.598  -0.341   0.269  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -4.285  -0.079  -1.069  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -3.974  -0.638  -2.117  0.00  0.00    -0.275 OA
ATOM      7  N   LIG    1       -5.314   0.830  -1.046  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1       -5.760   0.969  -1.944  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1       -6.164   1.010   0.015  0.00  0.00    +0.219 C 
ATOM     10  O   LIG    1       -7.306   1.427  -0.152  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -5.611   0.685   1.381  0.00  0.00    +0.097 C 
ATOM     12  C   LIG    1       -4.691  -0.527   1.326  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -2.655  -1.555   0.203  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -1.370  -0.990  -0.391  0.00  0.00    +0.109 C 
ATOM     15  O   LIG    1       -0.310   2.375   0.570  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  23
ATOM     16  C   LIG    1        6.221  -0.356   2.072  0.00  0.00    +0.109 C 
ATOM     17  C   LIG    1        4.788  -0.074   1.687  0.00  0.00    +0.217 C 
ATOM     18  N   LIG    1        4.519  -0.129   0.331  0.00  0.00    -0.271 N 
ATOM     19  C   LIG    1        3.280   0.152  -0.274  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        3.362  -0.053  -1.655  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1        2.272   0.155  -2.489  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        1.075   0.583  -1.914  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        0.995   0.783  -0.524  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        4.723  -0.526  -2.055  0.00  0.00    +0.056 C 
ATOM     25  C   LIG    1        2.101   0.582   0.309  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        5.488  -0.461  -0.727  0.00  0.00    +0.118 C 
ATOM     27  O   LIG    1        3.960   0.168   2.564  0.00  0.00    -0.276 OA
ENDBRANCH   1  23
TORSDOF 1