REMARK  Name = BDB029839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.443  -1.327   1.627  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.442  -2.253   1.843  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.273  -3.054   1.234  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        2.483  -0.269   2.254  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.486  -0.938  -0.603  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.490  -0.706   0.362  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        3.463  -1.637   0.590  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        3.437  -2.809  -0.164  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        2.462  -3.714   0.024  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        4.418  -3.050  -1.124  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        4.385  -4.500  -2.056  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.439  -2.124  -1.346  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        9.525   1.524  -2.122  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        8.299   1.141  -1.470  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        7.627  -0.039  -1.631  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.527   0.059  -0.804  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        6.530   1.272  -0.154  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        7.605   1.899  -0.574  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        0.333  -1.877   2.787  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.630  -1.293   3.579  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.117  -1.330   2.085  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -2.076  -1.216   3.160  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.359  -2.154   0.920  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -0.655   0.306   1.540  0.00  0.00    +0.193 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.803   1.125   0.971  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1       -2.995   1.547   1.860  0.00  0.00    +0.117 C 
ATOM     27  N   LIG    1       -3.797   1.408   0.654  0.00  0.00    -0.267 N 
ATOM     28  C   LIG    1       -5.161   1.409   0.572  0.00  0.00    +0.403 C 
ATOM     29  O   LIG    1       -5.890   1.899   1.424  0.00  0.00    -0.226 OA
ATOM     30  C   LIG    1       -2.845   0.524  -0.002  0.00  0.00    +0.117 C 
BRANCH  28  31
ATOM     31  O   LIG    1       -5.578   0.812  -0.573  0.00  0.00    -0.445 OA
BRANCH  31  32
ATOM     32  C   LIG    1       -6.990   0.685  -0.874  0.00  0.00    +0.107 C 
ATOM     33  C   LIG    1       -7.707  -0.181   0.168  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1       -7.653   2.057  -1.035  0.00  0.00    +0.055 C 
ATOM     35  C   LIG    1       -7.035  -0.042  -2.228  0.00  0.00    +0.055 C 
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 8