REMARK  Name = BDB029412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.471  -0.454   0.187  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        5.287  -0.316  -0.069  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1        4.498  -1.218  -0.774  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        4.862  -2.082  -1.147  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1        3.196  -0.765  -0.891  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        3.071   0.470  -0.256  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        1.859   1.136  -0.238  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        0.767   0.517  -0.863  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        0.911  -0.725  -1.522  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        2.143  -1.384  -1.532  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        4.396   0.870   0.322  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -0.532   1.227  -0.876  0.00  0.00    +0.247 C 
ATOM     13  N   LIG    1       -1.671   0.561  -0.424  0.00  0.00    -0.298 N 
ATOM     14  C   LIG    1       -2.954   1.246  -0.562  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1       -4.122   0.269  -0.521  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -4.146  -0.543   0.775  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -2.766  -0.684   1.418  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1       -1.645  -0.663   0.384  0.00  0.00    +0.108 C 
ATOM     19  O   LIG    1       -0.545   2.382  -1.294  0.00  0.00    -0.270 OA
ENDBRANCH   8  12
TORSDOF 1