REMARK  Name = BDB046893
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.342  -0.479   1.144  0.00  0.00    +0.053 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.725   0.029   0.910  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1        3.844  -0.678   0.532  0.00  0.00    +0.120 A 
ATOM      4  N   LIG    1        4.904   0.213   0.437  0.00  0.00    -0.220 N 
ATOM      5  N   LIG    1        4.489   1.470   0.742  0.00  0.00    -0.173 NA
ATOM      6  C   LIG    1        3.194   1.351   1.027  0.00  0.00    +0.138 A 
BRANCH   4   7
ATOM      7  C   LIG    1        6.245  -0.147   0.066  0.00  0.00    +0.180 A 
ATOM      8  C   LIG    1        7.278   0.800  -0.010  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1        8.534   0.297  -0.386  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        9.663   1.242  -0.483  0.00  0.00    +0.259 A 
ATOM     11  N   LIG    1        9.377   2.547  -0.192  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1       10.142   3.203  -0.254  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1        8.131   2.958   0.166  0.00  0.00    +0.200 A 
ATOM     14  O   LIG    1       10.787   0.878  -0.806  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1        8.748  -1.051  -0.667  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        7.671  -1.897  -0.564  0.00  0.00    +0.114 A 
ATOM     17  N   LIG    1        7.118   2.174   0.264  0.00  0.00    -0.233 NA
ATOM     18  N   LIG    1        6.440  -1.482  -0.209  0.00  0.00    -0.234 NA
ENDBRANCH   4   7
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  C   LIG    1        0.488  -0.438  -0.136  0.00  0.00    +0.089 C 
BRANCH  19  23
ATOM     20  C   LIG    1       -3.615  -1.629   0.159  0.00  0.00    -0.004 C 
ATOM     21  C   LIG    1       -3.069  -1.144  -1.190  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1       -1.752  -0.369  -1.049  0.00  0.00    +0.084 C 
ATOM     23  N   LIG    1       -0.921  -0.805   0.090  0.00  0.00    -0.302 NA
ATOM     24  C   LIG    1       -1.112  -2.230   0.364  0.00  0.00    +0.084 C 
ATOM     25  C   LIG    1       -2.543  -2.492   0.859  0.00  0.00    +0.019 C 
BRANCH  20  26
ATOM     26  C   LIG    1       -4.071  -0.475   1.082  0.00  0.00    +0.039 C 
BRANCH  26  29
ATOM     27  C   LIG    1       -7.543   0.560  -0.141  0.00  0.00    +0.120 A 
ATOM     28  C   LIG    1       -6.488  -0.194   0.382  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.203   0.352   0.520  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1       -4.989   1.679   0.130  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -6.038   2.437  -0.393  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -7.312   1.879  -0.530  0.00  0.00    +0.045 A 
BRANCH  27  34
ATOM     33  C   LIG    1       -9.844   0.623  -0.734  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -8.736  -0.105  -0.219  0.00  0.00    -0.495 OA
ENDBRANCH  27  34
ENDBRANCH  26  29
ENDBRANCH  20  26
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7