REMARK  Name = BDB016533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.066   0.297  -3.049  0.00  0.00    +0.153 C 
ATOM      2  N   LIG    1       -2.600   0.203  -1.674  0.00  0.00    -0.299 N 
ATOM      3  C   LIG    1       -1.263  -0.119  -1.470  0.00  0.00    +0.262 A 
ATOM      4  O   LIG    1       -0.458  -0.341  -2.371  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1       -0.814  -0.192  -0.068  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1       -1.760   0.045   0.929  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1       -1.360  -0.012   2.268  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -0.035  -0.299   2.606  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        0.897  -0.530   1.592  0.00  0.00    +0.106 A 
ATOM     10  N   LIG    1       -3.098   0.328   0.639  0.00  0.00    -0.233 NA
ATOM     11  C   LIG    1        0.516  -0.486   0.249  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1       -3.457   0.382  -0.602  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   9  13
ATOM     13  S   LIG    1        2.584  -0.906   1.994  0.00  0.00    +0.059 S 
ATOM     14  O   LIG    1        2.961  -2.070   1.224  0.00  0.00    -0.153 OA
ATOM     15  O   LIG    1        2.730  -0.854   3.433  0.00  0.00    -0.153 OA
BRANCH  13  16
ATOM     16  N   LIG    1        3.370   0.481   1.402  0.00  0.00    -0.184 NA
ATOM     17  H   LIG    1        3.497   1.128   2.185  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        4.652   0.245   0.690  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        5.028   1.236  -0.390  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1        4.638  -0.162  -0.763  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1        5.769  -0.265   1.567  0.00  0.00    +0.029 C 
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   9  13
BRANCH  12  22
ATOM     22  C   LIG    1       -4.892   0.674  -0.860  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1       -5.969   0.066   0.012  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -5.807  -0.402  -1.401  0.00  0.00    +0.012 C 
ENDBRANCH  12  22
TORSDOF 4