REMARK  Name = BDB019567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.085  -0.916  -0.188  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.269   0.398  -0.124  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1       -1.548   0.708  -0.443  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -2.484  -0.264  -0.801  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -2.102  -1.611  -0.864  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -0.782  -1.939  -0.549  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.888   2.135  -0.337  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -2.388   2.901  -1.411  0.00  0.00    +0.053 A 
ATOM      9 CL   LIG    1       -2.611   2.234  -2.994  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -2.699   4.255  -1.246  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -2.507   4.857  -0.011  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -2.804   6.153   0.143  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -2.007   4.138   1.064  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -1.697   2.787   0.901  0.00  0.00    +0.014 A 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     15  N   LIG    1        2.250  -0.125   0.521  0.00  0.00    -0.305 N 
ATOM     16  H   LIG    1        1.764   0.757   0.377  0.00  0.00    +0.150 HD
ATOM     17  C   LIG    1        1.511  -1.230   0.155  0.00  0.00    +0.263 C 
ATOM     18  O   LIG    1        1.932  -2.378   0.086  0.00  0.00    -0.269 OA
BRANCH  15  20
ATOM     19  C   LIG    1        4.045   1.296   1.311  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1        3.700  -0.085   0.721  0.00  0.00    +0.032 C 
ATOM     21  C   LIG    1        4.164  -1.140   1.744  0.00  0.00    +0.031 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.360  -0.352  -0.623  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1        4.252   0.620  -1.777  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        5.588   0.371  -1.131  0.00  0.00    +0.006 C 
ENDBRANCH  20  22
ENDBRANCH  15  20
ENDBRANCH   1  17
BRANCH   5  25
ATOM     25  C   LIG    1       -3.090  -2.683  -1.247  0.00  0.00    +0.158 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.044  -2.929  -0.181  0.00  0.00    -0.332 N 
ATOM     27  C   LIG    1       -5.347  -2.520  -0.164  0.00  0.00    +0.199 A 
ATOM     28  N   LIG    1       -5.958  -2.910   0.931  0.00  0.00    -0.244 NA
ATOM     29  C   LIG    1       -5.017  -3.610   1.641  0.00  0.00    +0.130 A 
ATOM     30  C   LIG    1       -3.820  -3.643   0.964  0.00  0.00    +0.107 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 6