REMARK  Name = BDB004032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.171   1.424  -2.603  0.00  0.00    +0.123 A 
ATOM      2  N   LIG    1        1.060   1.027  -1.692  0.00  0.00    -0.200 NA
ATOM      3  C   LIG    1        0.588   0.467  -0.572  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1       -0.719   0.292  -0.328  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -1.600   0.671  -1.267  0.00  0.00    +0.130 A 
ATOM      6  C   LIG    1       -1.181   1.258  -2.442  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        0.681   1.990  -3.771  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1        0.265   2.894  -3.968  0.00  0.00    +0.144 HD
ATOM      9  H   LIG    1        1.691   2.056  -3.663  0.00  0.00    +0.144 HD
ENDBRANCH   1   7
BRANCH   3  10
ATOM     10  N   LIG    1        1.429   0.029   0.448  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        0.861  -0.382   1.175  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1        2.816  -0.064   0.596  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        3.329  -0.536   1.816  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        4.708  -0.633   2.043  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        5.607  -0.250   1.046  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        5.115   0.230  -0.170  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        3.734   0.324  -0.386  0.00  0.00    +0.024 A 
BRANCH  15  18
ATOM     18  C   LIG    1        7.076  -0.331   1.232  0.00  0.00    +0.337 C 
ATOM     19  O   LIG    1        7.919  -0.010   0.415  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        7.423  -0.812   2.439  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        8.403  -0.809   2.416  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  15  18
ENDBRANCH  10  12
ENDBRANCH   3  10
BRANCH   5  22
ATOM     22  N   LIG    1       -2.993   0.511  -1.071  0.00  0.00    -0.299 N 
ATOM     23  H   LIG    1       -3.411   0.102  -1.914  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.675   0.084   0.099  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -4.886  -0.647   0.026  0.00  0.00    +0.080 A 
ATOM     26  C   LIG    1       -5.567  -1.013   1.201  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1       -5.071  -0.646   2.450  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.897   0.093   2.535  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -3.214   0.460   1.373  0.00  0.00    +0.024 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -5.432  -1.047  -1.299  0.00  0.00    +0.339 C 
ATOM     31  O   LIG    1       -4.909  -0.820  -2.378  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.601  -1.708  -1.223  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -6.831  -1.905  -2.156  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH  22  24
ENDBRANCH   5  22
TORSDOF 9