REMARK  Name = BDB019090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.147  -0.515  -0.457  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1        0.488  -1.602   0.169  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -0.889  -1.622   0.100  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -1.298  -2.732   0.795  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1       -0.280  -3.424   1.265  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -1.643  -0.635  -0.567  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.018   0.366  -1.131  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        0.838  -2.727   0.879  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        0.360   0.400  -1.063  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        2.661   0.816   1.776  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        3.325   0.296   0.534  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1        2.602  -0.317  -0.482  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        3.353  -0.745  -1.563  0.00  0.00    +0.126 A 
ATOM     14  N   LIG    1        4.688  -0.596  -1.664  0.00  0.00    -0.203 NA
ATOM     15  C   LIG    1        5.290   0.005  -0.630  0.00  0.00    +0.318 A 
ATOM     16  N   LIG    1        4.668   0.462   0.469  0.00  0.00    -0.200 NA
BRANCH  15  17
ATOM     17  O   LIG    1        6.651   0.153  -0.770  0.00  0.00    -0.460 OA
BRANCH  17  18
ATOM     18  C   LIG    1        7.325   0.713   0.360  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        8.761   0.192   0.315  0.00  0.00    +0.052 C 
ATOM     20  C   LIG    1        7.324   2.237   0.269  0.00  0.00    +0.052 C 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -3.017  -0.751  -0.598  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.403  -1.684  -0.509  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.816   0.106  -1.458  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.268  -0.059  -1.113  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.813   0.441   0.067  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.160   1.147   1.196  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.407   1.628   1.939  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.526   0.784   1.580  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -7.154   0.248   0.375  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -8.009  -0.445  -0.458  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -7.488  -0.949  -1.649  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -6.136  -0.755  -1.964  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -5.668  -1.271  -3.109  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6