REMARK  Name = BDB059324
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.382   0.850   0.233  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.816   0.264   0.606  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.929  -0.744   0.471  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.446   2.018  -0.144  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.844  -0.424  -0.533  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.691   0.359  -0.521  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.591  -0.018   0.263  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -1.657  -1.172   1.057  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -2.814  -1.959   1.058  0.00  0.00    -0.046 A 
ATOM     10  C   LIG    1       -2.899  -3.211   1.881  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.895  -1.581   0.250  0.00  0.00    +0.049 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -4.977  -0.177  -1.259  0.00  0.00    -0.492 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -6.350   1.090  -2.737  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -4.997   1.008  -2.054  0.00  0.00    +0.225 C 
ENDBRANCH  12  14
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  N   LIG    1        2.080   1.076   0.229  0.00  0.00    -0.108 NA
ATOM     16  H   LIG    1        1.797   1.983  -0.180  0.00  0.00    +0.172 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.084   0.273  -0.913  0.00  0.00    +0.076 S 
ATOM     18  O   LIG    1        2.965   1.038  -2.133  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1        2.742  -1.134  -0.830  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.699   0.480  -0.257  0.00  0.00    +0.142 A 
ATOM     21  C   LIG    1        5.776   0.258  -1.104  0.00  0.00    +0.150 A 
ATOM     22  F   LIG    1        5.593  -0.133  -2.372  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        7.079   0.422  -0.641  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        7.303   0.810   0.680  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        6.221   1.029   1.535  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.914   0.865   1.071  0.00  0.00    +0.031 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 6