REMARK  Name = BDB004003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.499  -0.453   0.613  0.00  0.00    -0.309 NA
ATOM      2  H   LIG    1        0.198  -1.121   1.323  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.660   0.377   0.246  0.00  0.00    +0.081 C 
ATOM      4  C   LIG    1       -1.208   1.202   1.419  0.00  0.00    +0.029 C 
BRANCH   3   5
ATOM      5  C   LIG    1       -1.726  -0.521  -0.371  0.00  0.00    -0.031 A 
ATOM      6  C   LIG    1       -1.810  -0.631  -1.770  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -2.765  -1.456  -2.368  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -3.643  -2.193  -1.578  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.563  -2.110  -0.190  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -2.608  -1.285   0.410  0.00  0.00    +0.005 A 
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   1  11
ATOM     11  C   LIG    1        1.674   0.273   1.093  0.00  0.00    +0.096 C 
BRANCH  11  13
ATOM     12  C   LIG    1        2.684   0.491  -1.258  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1        2.344   1.189   0.058  0.00  0.00    +0.108 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.561   1.825   0.699  0.00  0.00    +0.309 C 
ATOM     15  O   LIG    1        3.558   2.961   1.154  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1        4.649   1.030   0.787  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1        4.539   0.134   0.418  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 6