REMARK  Name = BDB023160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.078   1.029   2.197  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.486   1.134   3.011  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.570   0.865   0.903  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.292   0.632  -0.054  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.875   0.969   0.834  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.472   0.699  -0.373  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.813   0.851  -0.218  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.104   1.222   1.083  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.448   1.428   1.415  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.441   1.252   0.446  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.120   0.864  -0.864  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.794   1.794   2.657  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.772   0.667  -1.214  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.856   1.298   1.757  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.137   0.705  -1.831  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.085  -0.095  -3.024  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.607   0.063  -3.093  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.519   0.390  -1.599  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.699   1.050   2.560  0.00  0.00    +0.077 S 
ATOM     20  O   LIG    1       -3.321   2.071   1.745  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.756   1.115   4.006  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.227  -0.770   1.072  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1       -3.260  -0.568   2.083  0.00  0.00    +0.131 A 
ATOM     24  C   LIG    1       -2.665  -1.641   2.776  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -3.020  -2.944   2.464  0.00  0.00    +0.043 A 
ATOM     26 CL   LIG    1       -2.287  -4.256   3.297  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1       -3.969  -3.183   1.484  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1       -4.568  -2.108   0.813  0.00  0.00    +0.026 A 
BRANCH  22  29
ATOM     29  N   LIG    1       -4.887   0.286   0.460  0.00  0.00    -0.340 N 
ATOM     30  H   LIG    1       -4.413   1.188   0.608  0.00  0.00    +0.146 HD
BRANCH  29  32
ATOM     31  C   LIG    1       -6.997  -0.264  -0.733  0.00  0.00    +0.027 C 
ATOM     32  C   LIG    1       -5.583   0.297  -0.831  0.00  0.00    +0.064 C 
ATOM     33  C   LIG    1       -4.761  -0.305  -1.965  0.00  0.00    +0.027 C 
ENDBRANCH  29  32
ENDBRANCH  22  29
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 6