REMARK  Name = BDB031055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.125  -0.102  -0.044  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        1.125   0.784  -0.254  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        2.060   0.922   0.702  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        2.019   0.201   1.887  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.997  -0.722   2.084  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.034  -0.887   1.097  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -4.383  -0.042  -0.103  0.00  0.00    -0.000 A 
ATOM      8  C   LIG    1       -3.040  -0.013   0.043  0.00  0.00    +0.099 A 
ATOM      9  N   LIG    1       -2.197  -0.178  -1.059  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1       -2.680  -0.344  -2.355  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1       -1.708  -0.420  -3.237  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -0.558  -0.301  -2.503  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -4.090  -0.386  -2.526  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -0.815  -0.203  -1.147  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1       -4.902  -0.245  -1.462  0.00  0.00    +0.011 A 
BRANCH   7  17
ATOM     16  C   LIG    1       -6.273  -1.095   1.218  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1       -5.367   0.132   1.052  0.00  0.00    +0.087 C 
ATOM     18  C   LIG    1       -6.201   1.409   0.889  0.00  0.00    +0.046 C 
BRANCH  17  19
ATOM     19  O   LIG    1       -4.627   0.263   2.275  0.00  0.00    -0.384 OA
ATOM     20  H   LIG    1       -5.263   0.429   2.991  0.00  0.00    +0.211 HD
ENDBRANCH  17  19
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  21
ATOM     21  N   LIG    1        3.056   1.861   0.437  0.00  0.00    -0.322 N 
ATOM     22  H   LIG    1        2.677   2.342  -0.386  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.389   1.341   0.036  0.00  0.00    +0.119 C 
ATOM     24  C   LIG    1        4.368   0.502  -1.257  0.00  0.00    +0.189 C 
ATOM     25  F   LIG    1        4.388   1.374  -2.314  0.00  0.00    -0.243 F 
ATOM     26  C   LIG    1        5.577  -0.423  -1.385  0.00  0.00    +0.054 C 
ATOM     27  C   LIG    1        6.780   0.143  -0.641  0.00  0.00    +0.084 C 
ATOM     28  N   LIG    1        6.540   0.263   0.800  0.00  0.00    -0.314 NA
ATOM     29  H   LIG    1        7.175   0.962   1.189  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        5.149   0.597   1.146  0.00  0.00    +0.106 C 
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 5