REMARK  Name = BDB003180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.419   0.136   0.733  0.00  0.00    +0.073 S 
ATOM      2  O   LIG    1       -0.049  -1.141   1.229  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.066   1.093   1.603  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -0.962   0.956  -0.055  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -0.867   2.276  -0.543  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        0.382   3.108  -0.439  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1       -2.003   2.853  -1.140  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -3.197   2.138  -1.256  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -3.276   0.838  -0.753  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -2.162   0.238  -0.165  0.00  0.00    +0.042 A 
BRANCH   9  11
ATOM     11  C   LIG    1       -4.516   0.047  -0.907  0.00  0.00    +0.246 C 
ATOM     12  N   LIG    1       -5.713   0.560  -0.412  0.00  0.00    -0.304 N 
ATOM     13  C   LIG    1       -5.809   1.602   0.602  0.00  0.00    +0.132 C 
ATOM     14  C   LIG    1       -6.935  -0.176  -0.684  0.00  0.00    +0.132 C 
ATOM     15  O   LIG    1       -4.422  -1.029  -1.492  0.00  0.00    -0.270 OA
ENDBRANCH   9  11
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1        1.397  -0.200  -0.625  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1        0.906  -0.895  -1.190  0.00  0.00    +0.174 HD
BRANCH  16  23
ATOM     18  C   LIG    1        6.652  -1.971   0.869  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        5.270  -1.537   0.461  0.00  0.00    -0.047 A 
ATOM     20  C   LIG    1        4.252  -2.476   0.196  0.00  0.00    -0.046 A 
ATOM     21  C   LIG    1        4.501  -3.955   0.314  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        2.975  -2.021  -0.173  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        2.715  -0.655  -0.289  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        3.711   0.273  -0.005  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        4.983  -0.166   0.362  0.00  0.00    +0.005 A 
ENDBRANCH  16  23
ENDBRANCH   1  16
TORSDOF 4