REMARK  Name = BDB019595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.023   1.667   0.165  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        0.308   1.506  -0.252  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.847   0.227  -0.437  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.045  -0.901  -0.226  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.282  -0.765   0.205  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -1.805   0.524   0.394  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.675   3.003  -1.953  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -2.363   3.654  -0.633  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -1.589   3.007   0.349  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -1.364   3.702   1.540  0.00  0.00    +0.119 A 
ATOM     11  N   LIG    1       -1.832   4.942   1.815  0.00  0.00    -0.263 NA
ATOM     12  C   LIG    1       -2.575   5.527   0.856  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -2.865   4.934  -0.363  0.00  0.00    +0.023 A 
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        2.252   0.020  -0.886  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        3.155   1.008  -0.556  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        2.892   1.709   0.122  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        2.561  -1.005  -1.484  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.566   0.856  -0.829  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.294   0.347   0.388  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1        5.932   1.234   1.269  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        6.582   0.750   2.408  0.00  0.00    +0.044 A 
ATOM     22 CL   LIG    1        7.361   1.853   3.475  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        6.602  -0.612   2.689  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1        5.962  -1.486   1.821  0.00  0.00    +0.125 A 
ATOM     25  F   LIG    1        5.970  -2.799   2.088  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        5.310  -1.024   0.682  0.00  0.00    +0.043 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  27
ATOM     27  C   LIG    1       -2.149  -1.983   0.409  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -2.755  -2.356  -0.852  0.00  0.00    -0.313 N 
ATOM     29  H   LIG    1       -3.095  -1.552  -1.372  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -3.650  -3.361  -0.943  0.00  0.00    +0.176 C 
ATOM     31  N   LIG    1       -3.393  -4.502  -0.254  0.00  0.00    -0.316 N 
ATOM     32  H   LIG    1       -2.418  -4.775  -0.294  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1       -4.320  -5.502  -0.744  0.00  0.00    +0.127 C 
ATOM     34  C   LIG    1       -5.366  -4.632  -1.449  0.00  0.00    +0.163 C 
ATOM     35  N   LIG    1       -4.723  -3.308  -1.677  0.00  0.00    -0.255 NA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7