REMARK  Name = BDB036905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.235   0.292  -1.429  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1       -0.242  -0.022  -0.059  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.729  -0.123   0.081  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1       -2.488  -0.827  -1.040  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1       -1.971  -1.542  -1.894  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -3.848  -0.610  -1.067  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -4.337  -1.067  -1.826  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -4.516   0.450  -0.508  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.656   0.738  -0.858  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.782   1.213   0.568  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.294   1.289   0.266  0.00  0.00    +0.039 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  S   LIG    1        0.591  -1.298   0.722  0.00  0.00    +0.061 S 
ATOM     13  O   LIG    1        0.527  -2.470  -0.121  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1        0.134  -1.340   2.096  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  C   LIG    1        2.269  -0.711   0.748  0.00  0.00    +0.106 A 
ATOM     16  C   LIG    1        2.610   0.332   1.615  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        3.928   0.793   1.649  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        4.889   0.206   0.826  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        6.511   0.778   0.868  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        4.549  -0.843  -0.031  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        3.233  -1.309  -0.070  0.00  0.00    +0.030 A 
ENDBRANCH  12  15
ENDBRANCH   2  12
TORSDOF 3