REMARK  Name = BDB052995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.997   0.304  -0.975  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1        0.605   0.693  -2.364  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -0.520   0.087  -2.914  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -0.944   0.412  -4.212  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.236   1.345  -4.966  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.895   1.950  -4.427  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.271  -0.910  -2.135  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -2.268  -1.435  -2.626  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -0.782  -1.198  -0.870  0.00  0.00    -0.223 N 
ATOM     10  C   LIG    1        1.319   1.627  -3.133  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1        0.317  -0.598  -0.313  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        2.099   0.911  -0.375  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1        2.546   1.659  -0.888  0.00  0.00    +0.155 HD
BRANCH  12  19
ATOM     14  C   LIG    1        4.694   0.719   3.881  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1        3.743   0.518   2.762  0.00  0.00    +0.062 A 
ATOM     16  N   LIG    1        2.793  -0.421   2.847  0.00  0.00    -0.178 NA
ATOM     17  N   LIG    1        2.134  -0.314   1.680  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1        1.345  -0.922   1.483  0.00  0.00    +0.190 HD
ATOM     19  C   LIG    1        2.629   0.656   0.850  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        3.683   1.218   1.530  0.00  0.00    +0.068 A 
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   9  21
ATOM     21  C   LIG    1       -1.507  -2.139  -0.020  0.00  0.00    +0.182 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.519  -1.442   0.859  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -2.160  -0.964   2.128  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1       -3.099  -0.302   2.917  0.00  0.00    +0.126 A 
ATOM     25  F   LIG    1       -2.742   0.145   4.128  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -4.396  -0.097   2.470  0.00  0.00    +0.076 A 
ATOM     27  C   LIG    1       -4.749  -0.560   1.212  0.00  0.00    +0.126 A 
ATOM     28  F   LIG    1       -5.996  -0.362   0.764  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -3.829  -1.224   0.404  0.00  0.00    +0.044 A 
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 4