REMARK  Name = BDB031771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.747  -2.140  -1.118  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.356  -0.935  -1.734  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.853  -0.346  -1.348  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -1.702  -0.896  -0.398  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -2.801   0.016  -0.304  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1       -2.649   1.034  -1.155  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1       -1.330  -2.113   0.204  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1       -1.472   0.804  -1.749  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1       -1.145   1.476  -2.433  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -0.117  -2.714  -0.169  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        3.488   1.118   0.806  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        3.022  -0.154   0.440  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        3.625  -0.825  -0.613  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1        3.393  -2.164  -1.255  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        2.045  -2.810  -1.505  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1        4.467  -2.252  -2.315  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1        5.181  -1.068  -2.270  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        5.963  -0.880  -2.878  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        4.648  -3.200  -3.061  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1        2.982  -3.363  -0.450  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        4.703  -0.217  -1.271  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        5.191   1.029  -0.938  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        4.567   1.702   0.117  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1        3.194   2.997   2.240  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        2.811   1.683   1.853  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1       -3.847  -0.211   0.527  0.00  0.00    -0.281 N 
ATOM     27  H   LIG    1       -3.806  -1.024   1.128  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -4.844   0.689   0.977  0.00  0.00    +0.146 A 
ATOM     29  C   LIG    1       -5.982   0.178   1.595  0.00  0.00    +0.099 A 
ATOM     30 CL   LIG    1       -6.210  -1.502   1.898  0.00  0.00    -0.078 Cl
ATOM     31  C   LIG    1       -6.938   1.090   1.986  0.00  0.00    +0.136 A 
ATOM     32  N   LIG    1       -6.825   2.419   1.797  0.00  0.00    -0.239 NA
ATOM     33  C   LIG    1       -5.704   2.830   1.178  0.00  0.00    +0.128 A 
ATOM     34  C   LIG    1       -5.524   4.300   0.962  0.00  0.00    +0.088 C 
ATOM     35  N   LIG    1       -4.711   2.017   0.778  0.00  0.00    -0.216 NA
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 4