REMARK  Name = BDB002175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.407  -2.453  -0.885  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.921  -1.390  -0.501  0.00  0.00    +0.270 C 
ATOM      3  N   LIG    1        0.545  -1.188  -0.404  0.00  0.00    -0.203 N 
ATOM      4  H   LIG    1        0.173  -0.277  -0.173  0.00  0.00    +0.178 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.723  -0.227  -0.120  0.00  0.00    +0.075 A 
ATOM      6  S   LIG    1        4.377  -0.175  -0.589  0.00  0.00    -0.092 S 
ATOM      7  C   LIG    1        4.616   1.350   0.141  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        3.473   1.816   0.746  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        2.382   0.906   0.601  0.00  0.00    +0.021 A 
ENDBRANCH   2   5
BRANCH   3  10
ATOM     10  N   LIG    1       -0.322  -2.183  -0.733  0.00  0.00    -0.187 NA
ATOM     11  C   LIG    1       -1.609  -1.991  -0.708  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.414  -0.828  -0.383  0.00  0.00    +0.033 A 
ATOM     13  S   LIG    1       -1.776   0.726  -0.050  0.00  0.00    -0.076 S 
ATOM     14  C   LIG    1       -3.313   1.384   0.187  0.00  0.00    +0.079 A 
ATOM     15 CL   LIG    1       -3.478   3.043   0.594  0.00  0.00    -0.076 Cl
ATOM     16  C   LIG    1       -4.323   0.477   0.020  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -3.801  -0.809  -0.315  0.00  0.00    +0.018 A 
ENDBRANCH  11  12
ENDBRANCH   3  10
TORSDOF 3