REMARK  Name = BDB051433
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.099  -1.028   0.820  0.00  0.00    +0.137 A 
ATOM      2  S   LIG    1        1.113  -2.409   0.814  0.00  0.00    -0.061 S 
ATOM      3  C   LIG    1        2.392  -1.469   0.150  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.949  -0.155  -0.012  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1        2.834   0.805  -0.543  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        4.129   0.418  -0.893  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        4.556  -0.895  -0.725  0.00  0.00    +0.021 A 
ATOM      8 CL   LIG    1        5.213   1.587  -1.543  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        3.694  -1.863  -0.200  0.00  0.00    +0.018 A 
ATOM     10  N   LIG    1        0.641   0.080   0.377  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   1  11
ATOM     11  S   LIG    1       -1.540  -1.109   1.418  0.00  0.00    -0.081 S 
BRANCH  11  13
ATOM     12  C   LIG    1       -2.239   0.296  -0.928  0.00  0.00    +0.034 C 
ATOM     13  C   LIG    1       -2.409   0.298   0.598  0.00  0.00    +0.114 C 
ATOM     14  C   LIG    1       -1.962   1.644   1.186  0.00  0.00    +0.034 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -3.896   0.111   0.936  0.00  0.00    +0.321 C 
ATOM     16  O   LIG    1       -4.530   0.693   1.804  0.00  0.00    -0.249 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -4.518  -0.833   0.194  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -5.426  -0.862   0.563  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 4