REMARK  Name = BDB029826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.740  -0.068   1.008  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.317  -0.652   1.684  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.274  -1.635   1.970  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.589   0.956   0.344  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.439  -0.689   0.485  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.159  -0.113   0.445  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -2.071  -0.723   1.094  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -2.280  -1.915   1.786  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -1.261  -2.524   2.413  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.552  -2.487   1.832  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -3.813  -3.957   2.693  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.634  -1.882   1.186  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -6.680   1.692  -2.782  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1       -6.792   1.434  -1.289  0.00  0.00    +0.218 C 
ATOM     15  N   LIG    1       -5.443   1.177  -0.733  0.00  0.00    -0.256 NA
ATOM     16  C   LIG    1       -5.540  -0.002  -0.209  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -6.896  -0.551  -0.418  0.00  0.00    +0.135 C 
ATOM     18  N   LIG    1       -7.662   0.260  -1.057  0.00  0.00    -0.263 NA
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.715  -0.173   1.262  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.624   0.629   0.615  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.652  -1.393   0.517  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        2.146  -2.653   1.028  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.663  -1.116  -0.899  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.261  -1.105   1.238  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.126   0.034   0.689  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1        5.734  -0.260  -0.690  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        6.635   0.892  -1.130  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1        5.922   2.127  -1.121  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        5.437   2.470   0.176  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1        4.458   1.413   0.678  0.00  0.00    +0.033 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6