REMARK  Name = BDB056201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.304   1.244  -0.387  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -1.310   0.323   0.010  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -1.706  -0.909   0.565  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -0.670  -1.863   1.035  0.00  0.00    +0.257 A 
ATOM      5  N   LIG    1        0.638  -1.478   0.870  0.00  0.00    -0.321 N 
ATOM      6  H   LIG    1        1.332  -2.133   1.207  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        1.038  -0.297   0.301  0.00  0.00    +0.056 A 
ATOM      8  O   LIG    1       -0.963  -2.939   1.544  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -3.056  -1.257   0.676  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -4.029  -0.379   0.213  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        0.132   0.592  -0.137  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -3.651   0.850  -0.330  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1        2.441  -0.070   0.160  0.00  0.00    +0.036 A 
ATOM     14  S   LIG    1        3.169   1.419   0.647  0.00  0.00    -0.095 S 
ATOM     15  C   LIG    1        4.732   0.893   0.207  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        4.725  -0.388  -0.293  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        3.412  -0.941  -0.314  0.00  0.00    +0.017 A 
ENDBRANCH   7  13
BRANCH   1  18
ATOM     18  N   LIG    1       -1.997   2.461  -1.026  0.00  0.00    -0.357 N 
ATOM     19  H   LIG    1       -1.135   2.888  -0.704  0.00  0.00    +0.142 HD
ATOM     20  H   LIG    1       -2.763   3.128  -1.016  0.00  0.00    +0.142 HD
ENDBRANCH   1  18
TORSDOF 2