REMARK  Name = BDB045212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.030  -1.229  -2.593  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1        0.848  -0.268  -1.971  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        1.562   0.672  -2.731  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.444   0.670  -4.122  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.646  -0.284  -4.736  0.00  0.00    +0.124 A 
ATOM      6  F   LIG    1        0.548  -0.301  -6.071  0.00  0.00    -0.205 F 
ATOM      7  C   LIG    1       -0.052  -1.233  -3.992  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.433   1.700  -2.096  0.00  0.00    +0.245 C 
ATOM      9  N   LIG    1        2.982   1.367  -0.878  0.00  0.00    -0.305 N 
ATOM     10  H   LIG    1        2.939   0.410  -0.557  0.00  0.00    +0.150 HD
ATOM     11  O   LIG    1        2.649   2.759  -2.673  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.906   2.253  -0.187  0.00  0.00    +0.100 C 
ATOM     13  C   LIG    1        3.176   3.436   0.457  0.00  0.00    +0.033 C 
BRANCH  12  14
ATOM     14  C   LIG    1        4.704   1.460   0.836  0.00  0.00    -0.027 A 
ATOM     15  C   LIG    1        4.087   0.872   1.953  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        4.833   0.131   2.871  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.204  -0.034   2.685  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.829   0.537   1.579  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.084   1.278   0.658  0.00  0.00    +0.005 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  20
ATOM     20  C   LIG    1       -0.729  -2.248  -1.767  0.00  0.00    +0.151 C 
BRANCH  20  27
ATOM     21  C   LIG    1       -3.835  -1.142   0.968  0.00  0.00    +0.042 C 
ATOM     22  N   LIG    1       -3.994  -1.056  -0.469  0.00  0.00    -0.311 N 
ATOM     23  H   LIG    1       -4.934  -1.103  -0.852  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -3.038  -1.422  -1.354  0.00  0.00    +0.182 C 
ATOM     25  N   LIG    1       -3.418  -1.555  -2.579  0.00  0.00    -0.272 NA
ATOM     26  H   LIG    1       -2.650  -1.784  -3.202  0.00  0.00    +0.189 HD
ATOM     27  N   LIG    1       -1.750  -1.642  -0.911  0.00  0.00    -0.240 N 
ATOM     28  C   LIG    1       -1.397  -1.409   0.416  0.00  0.00    +0.224 C 
ATOM     29  O   LIG    1       -0.294  -1.700   0.889  0.00  0.00    -0.275 OA
ATOM     30  C   LIG    1       -2.409  -0.691   1.280  0.00  0.00    +0.122 C 
ATOM     31  C   LIG    1       -4.049  -2.613   1.385  0.00  0.00    +0.032 C 
BRANCH  21  33
ATOM     32  C   LIG    1       -4.885  -0.261   3.174  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -4.920  -0.229   1.640  0.00  0.00    +0.006 C 
ATOM     34  C   LIG    1       -4.863   1.239   1.182  0.00  0.00    +0.009 C 
ENDBRANCH  21  33
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 6