REMARK  Name = BDB023668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.732  -0.221  -0.461  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1       -0.708   0.687  -0.753  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        0.609   0.243  -0.791  0.00  0.00    +0.056 A 
ATOM      4  N   LIG    1        1.653   1.127  -1.080  0.00  0.00    -0.283 N 
ATOM      5  H   LIG    1        1.451   2.061  -1.415  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        2.981   0.784  -1.016  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1        3.310  -0.538  -0.313  0.00  0.00    +0.070 C 
ATOM      8  C   LIG    1        4.740  -1.001  -0.631  0.00  0.00    +0.133 C 
ATOM      9  N   LIG    1        5.589  -0.582   0.526  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1        4.749   0.195   1.466  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1        2.286  -1.602  -0.725  0.00  0.00    +0.075 C 
ATOM     12  C   LIG    1        3.341  -0.317   1.207  0.00  0.00    +0.038 C 
ATOM     13  O   LIG    1        3.833   1.570  -1.421  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        0.875  -1.105  -0.560  0.00  0.00    +0.063 A 
ATOM     15  N   LIG    1       -0.089  -2.010  -0.280  0.00  0.00    -0.257 NA
ATOM     16  C   LIG    1       -1.362  -1.547  -0.229  0.00  0.00    +0.119 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1       -3.578  -0.446  -2.814  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -4.026   0.112  -1.488  0.00  0.00    -0.042 A 
ATOM     19  C   LIG    1       -3.129   0.203  -0.393  0.00  0.00    -0.003 A 
ATOM     20  C   LIG    1       -3.611   0.735   0.827  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -4.936   1.147   0.922  0.00  0.00    +0.066 A 
ATOM     22  N   LIG    1       -5.086   1.604   2.205  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1       -5.924   1.982   2.632  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1       -3.972   1.524   2.951  0.00  0.00    -0.181 NA
ATOM     25  C   LIG    1       -5.837   1.063  -0.140  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -3.078   0.992   2.114  0.00  0.00    +0.143 A 
ATOM     27  C   LIG    1       -5.356   0.537  -1.343  0.00  0.00    +0.006 A 
ENDBRANCH   1  19
BRANCH   9  28
ATOM     28  C   LIG    1        6.924  -0.478   0.464  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1        8.077  -0.395   0.413  0.00  0.00    -0.174 NA
ENDBRANCH   9  28
TORSDOF 2