REMARK  Name = BDB033788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.052  -0.700   0.417  0.00  0.00    +0.218 A 
ATOM      2  N   LIG    1       -1.114  -0.050   0.432  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -2.202  -0.745   0.818  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1       -2.169  -2.061   1.201  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.924  -2.635   1.163  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1        0.189  -1.979   0.782  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.379  -2.803   1.621  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -4.338  -2.864   0.656  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -3.978  -2.277   2.724  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -3.114  -4.103   1.944  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        1.143   0.049  -0.002  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1        0.839   1.013   0.095  0.00  0.00    +0.149 HD
BRANCH  11  16
ATOM     13  N   LIG    1        5.125  -0.198  -0.722  0.00  0.00    -0.181 NA
ATOM     14  C   LIG    1        4.598  -1.416  -0.048  0.00  0.00    +0.111 C 
ATOM     15  C   LIG    1        3.080  -1.467  -0.142  0.00  0.00    +0.039 C 
ATOM     16  C   LIG    1        2.436  -0.284   0.600  0.00  0.00    +0.076 C 
ATOM     17  C   LIG    1        3.345   0.957   0.565  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1        4.213   0.977  -0.685  0.00  0.00    +0.111 C 
BRANCH  13  20
ATOM     19  C   LIG    1        7.252   0.951  -1.927  0.00  0.00    +0.215 C 
ATOM     20  S   LIG    1        6.776   0.098  -0.437  0.00  0.00    +0.029 S 
ATOM     21  O   LIG    1        6.871   1.011   0.682  0.00  0.00    -0.158 OA
ATOM     22  O   LIG    1        7.462  -1.177  -0.424  0.00  0.00    -0.158 OA
ENDBRANCH  13  20
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  23
ATOM     23  O   LIG    1       -3.429  -0.117   0.844  0.00  0.00    -0.473 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.465   1.231   0.350  0.00  0.00    +0.175 C 
ATOM     25  C   LIG    1       -4.695   1.905   0.978  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -6.008   1.290   0.493  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -6.100   1.290  -1.030  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -4.888   0.619  -1.669  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -3.579   1.243  -1.182  0.00  0.00    +0.044 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6