REMARK  Name = BDB030090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.211   0.251   0.527  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.208   1.133   0.890  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.338   2.144   0.790  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.967  -0.932   0.294  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.963   0.320  -0.021  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.632  -0.116   0.101  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.596   0.780   0.416  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.905   2.125   0.609  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.937   3.008   0.906  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        4.221   2.569   0.493  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        4.604   4.232   0.736  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.247   1.676   0.180  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        9.258  -1.861  -1.236  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        7.887  -1.604  -0.879  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        7.323  -0.381  -0.641  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.002  -0.646  -0.346  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        5.768  -2.002  -0.403  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        6.917  -2.549  -0.725  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.225   0.639   0.649  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.201  -0.355   0.365  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.071   1.544  -0.523  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.502   2.877  -0.501  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -2.095   0.759  -1.736  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.716   1.618   0.182  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.553   0.344   0.014  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -6.029   0.637   0.329  0.00  0.00    +0.023 C 
ATOM     27  C   LIG    1       -6.942  -0.570   0.043  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -6.216  -1.915   0.207  0.00  0.00    +0.018 C 
ATOM     29  C   LIG    1       -5.135  -1.828   1.275  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -4.048  -0.817   0.894  0.00  0.00    +0.005 C 
BRANCH  27  31
ATOM     31  N   LIG    1       -7.512  -0.506  -1.303  0.00  0.00    -0.327 NA
ATOM     32  H   LIG    1       -8.007   0.376  -1.430  0.00  0.00    +0.118 HD
ATOM     33  H   LIG    1       -6.770  -0.518  -2.002  0.00  0.00    +0.118 HD
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 7