REMARK  Name = BDB011632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.457  -1.223   0.180  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        0.501  -0.252  -0.013  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.173   0.708   0.109  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.319  -2.417  -0.061  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.784  -0.364  -0.466  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.534   0.868  -0.848  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        2.101   1.998  -0.674  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        3.792   0.480  -1.330  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        3.886  -0.944  -1.177  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        4.393  -1.639  -2.371  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        2.654  -1.372  -0.641  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        2.484  -2.811  -0.274  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        4.939   1.325  -0.973  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        6.133   1.216  -1.940  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        7.308   0.453  -1.336  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        7.816   1.109  -0.052  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        6.714   1.772   0.775  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        5.347   1.154   0.506  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -3.171  -2.850   0.893  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -2.929  -1.392   1.000  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -3.801  -0.407   1.418  0.00  0.00    +0.144 A 
ATOM     22  O   LIG    1       -3.173   0.796   1.364  0.00  0.00    -0.358 OA
ATOM     23  N   LIG    1       -1.885   0.634   0.906  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -1.729  -0.683   0.685  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -5.220  -0.433   1.890  0.00  0.00    +0.059 C 
ATOM     26  C   LIG    1       -6.212  -0.595   0.732  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1       -6.619   0.835   0.298  0.00  0.00    -0.034 C 
ATOM     28  C   LIG    1       -5.970   1.208  -1.042  0.00  0.00    +0.011 C 
ATOM     29  C   LIG    1       -8.145   0.932   0.152  0.00  0.00    +0.011 C 
ATOM     30  C   LIG    1       -6.118   1.767   1.423  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -5.700   0.848   2.568  0.00  0.00    +0.012 C 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4