REMARK  Name = BDB059012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.460  -1.600  -1.393  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -0.422  -2.496  -1.975  0.00  0.00    +0.181 A 
ATOM      3  F   LIG    1       -0.038  -3.338  -2.944  0.00  0.00    -0.200 F 
ATOM      4  C   LIG    1       -1.717  -2.471  -1.530  0.00  0.00    +0.156 A 
ATOM      5  N   LIG    1       -2.147  -1.631  -0.571  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.239  -0.796  -0.048  0.00  0.00    +0.217 A 
ATOM      7  N   LIG    1        0.047  -0.755  -0.426  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        1.813  -1.630  -1.819  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1        1.860  -1.801  -2.819  0.00  0.00    +0.154 HD
BRANCH   8  14
ATOM     10  C   LIG    1        5.276   0.355  -0.355  0.00  0.00    +0.138 A 
ATOM     11  C   LIG    1        5.203  -0.121  -1.672  0.00  0.00    +0.084 A 
ATOM     12 CL   LIG    1        6.528   0.062  -2.771  0.00  0.00    -0.080 Cl
ATOM     13  C   LIG    1        4.052  -0.767  -2.141  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        2.933  -0.938  -1.317  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        3.025  -0.487   0.003  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        4.176   0.159   0.479  0.00  0.00    +0.049 A 
BRANCH  10  18
ATOM     17  C   LIG    1        6.523   1.468   1.349  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        6.439   0.975   0.019  0.00  0.00    -0.494 OA
ENDBRANCH  10  18
ENDBRANCH   8  14
ENDBRANCH   1   8
BRANCH   6  19
ATOM     19  N   LIG    1       -1.590   0.103   0.948  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1       -0.844   0.791   0.958  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.931   0.661   0.861  0.00  0.00    +0.104 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.930  -0.191   1.646  0.00  0.00    +0.021 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.267   0.514   1.900  0.00  0.00    +0.029 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.984   0.997   0.643  0.00  0.00    +0.156 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -6.133  -0.052  -0.300  0.00  0.00    -0.395 OA
ATOM     26  H   LIG    1       -6.563  -0.799   0.151  0.00  0.00    +0.209 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 9