REMARK  Name = BDB007607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.816   0.083  -1.456  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.213  -0.075  -0.306  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        1.429   0.150   0.803  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        1.869   0.276   1.707  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        3.622  -0.491  -0.057  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        4.568  -0.257  -1.069  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        5.905  -0.632  -0.884  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1        6.289  -1.247   0.317  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        5.346  -1.495   1.316  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        4.014  -1.123   1.130  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1        6.877  -0.401  -1.892  0.00  0.00    -0.220 N 
ATOM     12  N   LIG    1        8.180  -0.743  -1.722  0.00  0.00    -0.154 NA
ATOM     13  C   LIG    1        8.726  -0.356  -2.875  0.00  0.00    +0.245 A 
ATOM     14  N   LIG    1        7.872   0.209  -3.770  0.00  0.00    -0.222 NA
ATOM     15  C   LIG    1        6.722   0.167  -3.134  0.00  0.00    +0.225 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  C   LIG    1        0.081   0.684   0.673  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.639   0.662   2.029  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1        0.172   1.361   2.996  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        0.276   2.276   2.680  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.039   1.314   1.977  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.958   0.761   0.971  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -4.153   1.625   0.855  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.229   1.067  -0.051  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.274  -0.303  -0.359  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.299  -0.801  -1.175  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.289   0.052  -1.661  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.260   1.407  -1.341  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.184  -1.219   0.133  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -6.237   1.912  -0.538  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.381  -0.612   1.293  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 7