REMARK  Name = BDB063321
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.163  -1.841  -1.205  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.159  -2.283  -1.236  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        1.364  -1.574  -1.685  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1        2.330  -2.701  -2.073  0.00  0.00    +0.070 C 
ATOM      5  C   LIG    1        1.955  -3.825  -1.123  0.00  0.00    +0.186 C 
ATOM      6  F   LIG    1        2.527  -3.585   0.087  0.00  0.00    -0.244 F 
ATOM      7  C   LIG    1        0.445  -3.696  -0.995  0.00  0.00    +0.145 C 
ATOM      8  O   LIG    1       -2.029  -2.624  -0.780  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -1.529  -0.372  -1.723  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1       -1.136  -0.040  -3.207  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1       -2.569   0.460  -3.502  0.00  0.00    -0.032 C 
ATOM     12  C   LIG    1       -2.743   1.977  -3.469  0.00  0.00    +0.011 C 
ATOM     13  C   LIG    1       -3.153  -0.129  -4.788  0.00  0.00    +0.011 C 
ATOM     14  C   LIG    1       -3.036  -0.268  -2.222  0.00  0.00    +0.027 C 
BRANCH   9  18
ATOM     15  C   LIG    1       -0.579   2.454   1.626  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        0.016   2.619   0.377  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -0.272   1.744  -0.677  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -1.169   0.669  -0.535  0.00  0.00    -0.032 A 
ATOM     19  C   LIG    1       -1.766   0.542   0.739  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -1.478   1.410   1.802  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -0.717   3.174   3.882  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -0.193   3.360   2.574  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH   9  18
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1        2.024  -0.655  -0.633  0.00  0.00    +0.239 C 
ATOM     24  N   LIG    1        1.660  -0.926   0.661  0.00  0.00    -0.269 N 
ATOM     25  H   LIG    1        1.000  -1.675   0.829  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1        2.859   0.173  -0.993  0.00  0.00    -0.273 OA
BRANCH  24  27
ATOM     27  C   LIG    1        2.036  -0.275   1.837  0.00  0.00    +0.126 A 
ATOM     28  N   LIG    1        1.473  -0.820   2.938  0.00  0.00    -0.229 NA
ATOM     29  C   LIG    1        1.780  -0.207   4.104  0.00  0.00    +0.110 A 
ATOM     30  C   LIG    1        2.608   0.900   4.193  0.00  0.00    +0.084 A 
ATOM     31  N   LIG    1        2.650   1.213   5.524  0.00  0.00    -0.275 N 
ATOM     32  H   LIG    1        3.161   1.970   5.965  0.00  0.00    +0.189 HD
ATOM     33  N   LIG    1        1.910   0.402   6.306  0.00  0.00    -0.180 NA
ATOM     34  C   LIG    1        3.195   1.462   3.066  0.00  0.00    +0.032 A 
ATOM     35  C   LIG    1        1.391  -0.471   5.433  0.00  0.00    +0.162 A 
ATOM     36  C   LIG    1        2.882   0.834   1.859  0.00  0.00    +0.046 A 
ENDBRANCH  24  27
ENDBRANCH   3  23
TORSDOF 5