REMARK  Name = BDB044316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.001  -1.431   0.094  0.00  0.00    -0.265 N 
ATOM      2  N   LIG    1        2.713  -1.659  -1.204  0.00  0.00    -0.177 NA
ATOM      3  C   LIG    1        1.410  -1.371  -1.290  0.00  0.00    +0.157 A 
ATOM      4  C   LIG    1        0.863  -0.972  -0.051  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.919  -1.028   0.827  0.00  0.00    +0.132 A 
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1       -0.412  -0.596   0.303  0.00  0.00    -0.278 N 
ATOM      7  H   LIG    1       -0.607  -0.334   1.265  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -1.490  -0.531  -0.556  0.00  0.00    +0.269 C 
ATOM      9  O   LIG    1       -1.472  -0.802  -1.752  0.00  0.00    -0.268 OA
BRANCH   8  10
ATOM     10  C   LIG    1       -2.715  -0.085   0.138  0.00  0.00    +0.151 A 
ATOM     11  C   LIG    1       -4.010   0.099  -0.411  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -4.537  -0.073  -1.791  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1       -6.082  -0.068  -1.791  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -6.668   1.031  -0.880  0.00  0.00    +0.006 C 
ATOM     15  C   LIG    1       -6.229   0.872   0.590  0.00  0.00    +0.055 C 
ATOM     16  C   LIG    1       -4.784   0.540   0.636  0.00  0.00    +0.040 A 
ATOM     17  N   LIG    1       -3.975   0.590   1.725  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1       -4.211   0.864   2.674  0.00  0.00    +0.189 HD
ATOM     19  N   LIG    1       -2.708   0.215   1.460  0.00  0.00    -0.169 NA
ENDBRANCH   8  10
ENDBRANCH   4   6
BRANCH   1  20
ATOM     20  C   LIG    1        4.354  -1.653   0.588  0.00  0.00    +0.178 C 
BRANCH  20  23
ATOM     21  C   LIG    1        6.171   1.599  -0.260  0.00  0.00    +0.052 A 
ATOM     22  C   LIG    1        5.471   0.395  -0.395  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        5.110  -0.354   0.738  0.00  0.00    -0.025 A 
ATOM     24  C   LIG    1        5.467   0.122   2.008  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        6.166   1.323   2.144  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        6.518   2.060   1.014  0.00  0.00    +0.019 A 
BRANCH  21  28
ATOM     27  N   LIG    1        6.840   2.980  -2.352  0.00  0.00    -0.191 NA
ATOM     28  C   LIG    1        6.535   2.359  -1.421  0.00  0.00    +0.099 C 
ENDBRANCH  21  28
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 5