REMARK  Name = BDB029385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.360  -0.018  -1.283  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        5.224   0.089  -0.852  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1        4.243  -0.894  -0.891  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        4.402  -1.809  -1.285  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1        3.062  -0.450  -0.319  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        3.220   0.863   0.126  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.183   1.532   0.751  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.972   0.852   0.911  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.820  -0.469   0.432  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1        1.883  -1.146  -0.176  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1        4.616   1.323  -0.174  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -0.455  -1.196   0.626  0.00  0.00    +0.247 C 
ATOM     13  N   LIG    1       -1.641  -0.614   0.182  0.00  0.00    -0.298 N 
ATOM     14  C   LIG    1       -1.709   0.500  -0.769  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1       -2.900   0.369  -1.714  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -4.226   0.281  -0.959  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -4.087  -0.361   0.422  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1       -2.891  -1.302   0.498  0.00  0.00    +0.108 C 
ATOM     19  O   LIG    1       -0.404  -2.292   1.179  0.00  0.00    -0.270 OA
ENDBRANCH   9  12
TORSDOF 1