REMARK  Name = BDB019775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.562   2.269   0.211  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.505   1.712   0.933  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.419   0.423   1.477  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.760  -0.315   1.327  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.845   0.218   0.616  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -1.731   1.502   0.059  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        1.800   5.625  -2.659  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1        0.669   5.246  -1.752  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -0.261   6.192  -1.492  0.00  0.00    -0.260 NA
ATOM     10  C   LIG    1       -1.279   5.849  -0.676  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -1.421   4.597  -0.103  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -0.460   3.617  -0.371  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        0.604   3.962  -1.215  0.00  0.00    +0.031 A 
ENDBRANCH   1  12
BRANCH   3  14
ATOM     14  C   LIG    1        1.591  -0.109   2.225  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        1.728  -1.479   2.256  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1        1.225  -2.036   1.577  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        2.393   0.660   2.744  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.918  -2.093   2.809  0.00  0.00    +0.160 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.984  -2.275   1.753  0.00  0.00    +0.061 A 
ATOM     20  N   LIG    1        3.912  -3.397   0.992  0.00  0.00    -0.223 NA
ATOM     21  C   LIG    1        4.844  -3.540   0.026  0.00  0.00    +0.213 A 
ATOM     22  F   LIG    1        4.787  -4.649  -0.726  0.00  0.00    -0.184 F 
ATOM     23  C   LIG    1        5.843  -2.620  -0.233  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1        5.894  -1.470   0.543  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        4.949  -1.290   1.549  0.00  0.00    +0.025 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  26
ATOM     26  C   LIG    1       -3.112  -0.588   0.446  0.00  0.00    +0.139 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -2.842  -1.736  -0.395  0.00  0.00    -0.313 N 
ATOM     28  H   LIG    1       -2.325  -1.479  -1.233  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -3.812  -2.612  -0.730  0.00  0.00    +0.176 C 
ATOM     30  N   LIG    1       -4.670  -3.012   0.243  0.00  0.00    -0.316 N 
ATOM     31  H   LIG    1       -4.215  -3.184   1.131  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -5.406  -4.142  -0.288  0.00  0.00    +0.127 C 
ATOM     33  C   LIG    1       -5.133  -4.009  -1.790  0.00  0.00    +0.163 C 
ATOM     34  N   LIG    1       -3.947  -3.117  -1.920  0.00  0.00    -0.255 NA
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 7