REMARK  Name = BDB036903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.012   1.517  -0.323  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1        0.214   0.076  -0.054  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.617  -0.418  -0.194  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1        2.128  -0.287  -1.631  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1        1.398  -0.261  -2.621  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1        3.494  -0.233  -1.787  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        3.827  -0.155  -2.739  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        4.455  -0.178  -0.809  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        5.644  -0.080  -1.095  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        3.972  -0.299   0.615  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        2.574   0.281   0.771  0.00  0.00    +0.039 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  S   LIG    1       -0.643  -0.560   1.269  0.00  0.00    +0.061 S 
ATOM     13  O   LIG    1       -0.366  -1.978   1.354  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1       -0.406   0.318   2.395  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  C   LIG    1       -2.333  -0.387   0.763  0.00  0.00    +0.107 A 
ATOM     16  C   LIG    1       -3.202   0.427   1.493  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1       -4.524   0.546   1.071  0.00  0.00    +0.043 A 
ATOM     18 CL   LIG    1       -5.610   1.550   1.950  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -4.976  -0.138  -0.059  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.101  -0.954  -0.779  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -2.775  -1.083  -0.369  0.00  0.00    +0.028 A 
ENDBRANCH  12  15
ENDBRANCH   2  12
TORSDOF 3