REMARK  Name = BDB020191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.755   2.681   0.487  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.540   1.260   0.347  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -2.485   0.322   0.019  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -1.806  -0.893   0.029  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -2.514  -2.075  -0.259  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -3.880  -1.995  -0.554  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.537  -0.765  -0.562  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.462  -0.562   0.362  0.00  0.00    +0.071 A 
ATOM      9  C   LIG    1       -3.853   0.420  -0.274  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.307   0.756   0.541  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        0.686  -1.512   0.524  0.00  0.00    +0.070 C 
BRANCH  11  12
ATOM     12  C   LIG    1        2.090  -0.932   0.302  0.00  0.00    +0.082 C 
ATOM     13  C   LIG    1        2.477   0.028   1.418  0.00  0.00    +0.223 C 
ATOM     14  O   LIG    1        2.199  -0.171   2.599  0.00  0.00    -0.275 OA
ATOM     15  N   LIG    1        3.296   1.074   1.067  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1        3.559   1.691   1.822  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1        3.978   1.244  -0.110  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        4.835   2.116  -0.228  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        3.691   0.247  -1.206  0.00  0.00    +0.097 C 
ATOM     20  C   LIG    1        2.281  -0.307  -1.083  0.00  0.00    +0.022 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
TORSDOF 2