REMARK  Name = BDB054950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.637  -1.367  -0.740  0.00  0.00    +0.040 A 
ATOM      2  N   LIG    1       -0.452  -1.334   0.126  0.00  0.00    -0.313 N 
ATOM      3  C   LIG    1       -0.176  -1.637   1.428  0.00  0.00    +0.171 A 
ATOM      4  N   LIG    1       -1.106  -1.598   2.330  0.00  0.00    -0.250 NA
ATOM      5  C   LIG    1       -2.334  -1.306   1.477  0.00  0.00    +0.165 C 
ATOM      6  S   LIG    1        1.518  -1.996   1.635  0.00  0.00    -0.045 S 
ATOM      7  C   LIG    1       -1.813  -0.854   0.046  0.00  0.00    +0.148 C 
ATOM      8  C   LIG    1        1.776  -1.689  -0.084  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   8   9
ATOM      9  C   LIG    1        3.118  -1.867  -0.688  0.00  0.00    +0.255 C 
ATOM     10  N   LIG    1        4.181  -1.169  -0.132  0.00  0.00    -0.287 N 
ATOM     11  C   LIG    1        4.026   0.152   0.493  0.00  0.00    +0.203 C 
ATOM     12  C   LIG    1        4.561   1.298  -0.389  0.00  0.00    +0.230 C 
ATOM     13  O   LIG    1        4.244   2.471  -0.201  0.00  0.00    -0.274 OA
ATOM     14  N   LIG    1        5.528   0.993  -1.318  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        5.809   1.776  -1.897  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        5.765  -0.362  -1.792  0.00  0.00    +0.123 C 
ATOM     17  C   LIG    1        5.509  -1.394  -0.695  0.00  0.00    +0.127 C 
ATOM     18  O   LIG    1        3.252  -2.625  -1.648  0.00  0.00    -0.269 OA
ENDBRANCH   8   9
BRANCH   5  19
ATOM     19  C   LIG    1       -3.355  -0.406   2.143  0.00  0.00    -0.021 A 
ATOM     20  C   LIG    1       -4.646  -0.295   1.599  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -5.597   0.545   2.185  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -5.267   1.277   3.322  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -6.438   2.312   4.042  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -3.997   1.173   3.882  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -3.046   0.333   3.296  0.00  0.00    +0.007 A 
ENDBRANCH   5  19
BRANCH   7  26
ATOM     26  C   LIG    1       -1.860   0.637  -0.252  0.00  0.00    -0.022 A 
ATOM     27  C   LIG    1       -2.664   1.105  -1.306  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -2.733   2.470  -1.600  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -2.000   3.380  -0.845  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       -2.087   5.059  -1.209  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1       -1.198   2.939   0.203  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -1.129   1.575   0.499  0.00  0.00    +0.007 A 
ENDBRANCH   7  26
BRANCH   1  34
ATOM     33  C   LIG    1       -0.134  -2.195  -2.977  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1        0.508  -1.054  -2.201  0.00  0.00    +0.051 C 
ENDBRANCH   1  34
TORSDOF 4