REMARK  Name = BDB029920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.267   0.271  -1.196  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        1.003   0.974  -0.501  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        2.530  -0.294  -1.200  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        2.753  -1.352  -1.786  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.612   0.415  -0.467  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        3.381   1.570   0.279  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        2.145   2.087   0.364  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        4.432   2.196   0.948  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        4.148   3.626   1.868  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        5.726   1.677   0.882  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        5.983   0.517   0.142  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.915  -0.105  -0.529  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        7.317  -0.057   0.045  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        7.605  -1.143  -0.752  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        8.886  -1.377  -0.586  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        9.441  -0.489   0.286  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       10.823  -0.463   0.690  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        8.455   0.364   0.701  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.130  -0.641  -1.669  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.527  -1.506  -2.075  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -0.981  -1.045  -0.441  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -0.670  -2.389  -0.008  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.020   0.062   0.491  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.502  -1.087  -1.375  0.00  0.00    +0.192 C 
BRANCH  24  27
ATOM     25  N   LIG    1       -5.286  -0.054  -0.624  0.00  0.00    -0.180 NA
ATOM     26  C   LIG    1       -4.215  -0.223   0.388  0.00  0.00    +0.115 C 
ATOM     27  C   LIG    1       -3.656  -1.411  -0.441  0.00  0.00    +0.043 C 
ATOM     28  C   LIG    1       -5.042  -1.425  -1.126  0.00  0.00    +0.115 C 
BRANCH  25  29
ATOM     29  S   LIG    1       -6.737   0.766  -0.490  0.00  0.00    +0.032 S 
ATOM     30  O   LIG    1       -6.427   2.110  -0.056  0.00  0.00    -0.158 OA
ATOM     31  O   LIG    1       -7.481   0.513  -1.706  0.00  0.00    -0.158 OA
BRANCH  29  32
ATOM     32  C   LIG    1       -7.542  -0.101   0.856  0.00  0.00    +0.185 C 
BRANCH  32  34
ATOM     33  C   LIG    1       -9.158   1.716   1.625  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1       -8.996   0.316   1.054  0.00  0.00    +0.021 C 
ENDBRANCH  32  34
ENDBRANCH  29  32
ENDBRANCH  25  29
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 9