REMARK  Name = BDB050394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.507   0.181  -0.196  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1        2.341   0.531  -0.720  0.00  0.00    -0.181 NA
ATOM      3  C   LIG    1        1.256   0.065  -0.101  0.00  0.00    +0.224 A 
ATOM      4  N   LIG    1        1.306  -0.721   0.969  0.00  0.00    -0.203 NA
ATOM      5  C   LIG    1        2.528  -1.016   1.396  0.00  0.00    +0.228 A 
ATOM      6  N   LIG    1        3.666  -0.605   0.854  0.00  0.00    -0.203 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        4.649   0.641  -0.820  0.00  0.00    -0.327 N 
ATOM      8  H   LIG    1        5.429   0.032  -0.617  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1        4.465   0.854  -1.790  0.00  0.00    +0.145 HD
ENDBRANCH   1   7
BRANCH   3  10
ATOM     10  N   LIG    1        0.047   0.461  -0.668  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        0.234   1.071  -1.450  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -1.299   0.239  -0.355  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -2.281   0.824  -1.173  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -3.645   0.638  -0.923  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.053  -0.142   0.153  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.098  -0.733   0.974  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -1.734  -0.544   0.719  0.00  0.00    +0.023 A 
ENDBRANCH  10  12
ENDBRANCH   3  10
TORSDOF 3