REMARK  Name = BDB003078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.969   0.162   1.658  0.00  0.00    +0.230 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        2.321  -0.093   1.171  0.00  0.00    -0.159 N 
ATOM      3  S   LIG    1        2.702  -1.657   0.692  0.00  0.00    +0.078 S 
ATOM      4  O   LIG    1        3.177  -2.384   1.846  0.00  0.00    -0.150 OA
ATOM      5  O   LIG    1        1.687  -2.170  -0.194  0.00  0.00    -0.150 OA
ATOM      6  C   LIG    1        4.072  -1.143  -0.246  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        4.206   0.238  -0.200  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1        5.235   0.868  -0.882  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        6.126   0.071  -1.609  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.979  -1.329  -1.645  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        4.938  -1.955  -0.956  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        3.168   0.894   0.617  0.00  0.00    +0.268 C 
ATOM     13  O   LIG    1        3.068   2.092   0.800  0.00  0.00    -0.268 OA
ENDBRANCH   1   2
BRANCH   1  16
ATOM     14  N   LIG    1       -1.326   0.278   0.845  0.00  0.00    -0.311 N 
ATOM     15  H   LIG    1       -1.565  -0.110   1.748  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        0.007   0.416   0.500  0.00  0.00    +0.233 C 
ATOM     17  O   LIG    1        0.381   0.739  -0.625  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1       -2.411   0.455  -0.125  0.00  0.00    +0.078 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.970   2.691   0.974  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -3.523   1.322   0.546  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1       -4.753   1.554  -0.334  0.00  0.00    +0.009 C 
ENDBRANCH  18  20
BRANCH  18  22
ATOM     22  C   LIG    1       -2.932  -0.920  -0.661  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -1.941  -2.084  -0.506  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -3.299  -0.829  -2.151  0.00  0.00    +0.009 C 
ENDBRANCH  18  22
ENDBRANCH  14  18
ENDBRANCH   1  16
TORSDOF 5