REMARK  Name = BDB001636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.071  -0.861  -0.432  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1       -0.231  -2.341  -1.217  0.00  0.00    -0.060 S 
ATOM      3  C   LIG    1       -1.909  -1.997  -1.210  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.125  -0.775  -0.609  0.00  0.00    +0.087 A 
ATOM      5  N   LIG    1       -0.984  -0.128  -0.164  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -3.542  -0.127  -0.420  0.00  0.00    +0.040 A 
ATOM      7  S   LIG    1       -5.017  -0.825  -0.924  0.00  0.00    -0.075 S 
ATOM      8  C   LIG    1       -5.895   0.497  -0.338  0.00  0.00    +0.079 A 
ATOM      9 CL   LIG    1       -7.605   0.523  -0.496  0.00  0.00    -0.076 Cl
ATOM     10  C   LIG    1       -5.111   1.465   0.235  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -3.732   1.099   0.187  0.00  0.00    +0.019 A 
ENDBRANCH   4   6
BRANCH   1  14
ATOM     12  O   LIG    1        2.641  -2.159  -0.837  0.00  0.00    -0.269 OA
ATOM     13  C   LIG    1        2.528  -1.065  -0.290  0.00  0.00    +0.256 C 
ATOM     14  N   LIG    1        1.323  -0.424  -0.084  0.00  0.00    -0.260 N 
ATOM     15  H   LIG    1        1.298   0.472   0.371  0.00  0.00    +0.157 HD
BRANCH  13  16
ATOM     16  C   LIG    1        3.690  -0.317   0.208  0.00  0.00    +0.074 A 
ATOM     17  S   LIG    1        5.257  -1.008   0.013  0.00  0.00    -0.092 S 
ATOM     18  C   LIG    1        6.025   0.316   0.765  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        5.124   1.275   1.164  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        3.780   0.913   0.845  0.00  0.00    +0.021 A 
ENDBRANCH  13  16
ENDBRANCH   1  14
TORSDOF 3