REMARK  Name = BDB001649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.585  -0.428   2.721  0.00  0.00    -0.146 OA
ATOM      2  S   LIG    1        0.235   0.720   1.583  0.00  0.00    +0.032 S 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.347   0.230   0.752  0.00  0.00    +0.049 C 
ATOM      4  C   LIG    1       -2.464   0.237   1.829  0.00  0.00    +0.024 C 
ATOM      5  C   LIG    1       -3.817  -0.149   1.206  0.00  0.00    -0.009 C 
ATOM      6  C   LIG    1       -3.707  -1.554   0.593  0.00  0.00    +0.007 C 
ATOM      7  C   LIG    1       -2.615  -1.572  -0.489  0.00  0.00    -0.009 C 
ATOM      8  C   LIG    1       -2.970  -0.552  -1.585  0.00  0.00    +0.007 C 
ATOM      9  C   LIG    1       -3.081   0.859  -0.981  0.00  0.00    -0.009 C 
ATOM     10  C   LIG    1       -4.171   0.861   0.103  0.00  0.00    +0.007 C 
ATOM     11  C   LIG    1       -1.264  -1.189   0.144  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1       -1.732   1.247  -0.348  0.00  0.00    +0.024 C 
ENDBRANCH   2   3
BRANCH   2  13
ATOM     13  N   LIG    1        1.196   0.612   0.228  0.00  0.00    -0.245 NA
ATOM     14  H   LIG    1        1.393   1.492  -0.244  0.00  0.00    +0.137 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.420  -0.202   0.249  0.00  0.00    +0.066 C 
ATOM     16  C   LIG    1        3.523   0.502   1.066  0.00  0.00    +0.019 C 
ATOM     17  C   LIG    1        4.915   0.091   0.601  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        5.162   0.496  -0.854  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1        3.889   0.515  -1.705  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1        2.864  -0.493  -1.200  0.00  0.00    +0.019 C 
ENDBRANCH  13  15
ENDBRANCH   2  13
TORSDOF 3