REMARK  Name = BDB036818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.301   1.109  -0.162  0.00  0.00    +0.246 C 
ATOM      2  N   LIG    1       -0.635   0.113  -0.039  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1       -0.547  -0.549   0.729  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        0.120   2.120  -0.831  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.968   0.256  -0.609  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1       -2.881  -0.796   0.027  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -2.587  -1.392   1.063  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -4.067  -1.036  -0.622  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.655  -1.745  -0.204  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.320  -0.789  -1.947  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.265  -1.323  -2.519  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.400   0.189  -2.641  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -1.975   0.069  -2.122  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  20
ATOM     14  C   LIG    1        3.808  -1.826   1.642  0.00  0.00    +0.152 C 
ATOM     15  N   LIG    1        3.270  -0.481   1.517  0.00  0.00    -0.318 N 
ATOM     16  C   LIG    1        3.945   0.580   2.123  0.00  0.00    +0.251 A 
ATOM     17  O   LIG    1        4.974   0.477   2.785  0.00  0.00    -0.268 OA
ATOM     18  C   LIG    1        3.344   1.926   1.924  0.00  0.00    +0.071 A 
ATOM     19  C   LIG    1        2.215   2.067   1.217  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        1.549   0.918   0.640  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1        2.103  -0.298   0.788  0.00  0.00    +0.101 A 
ENDBRANCH   1  20
TORSDOF 2