REMARK  Name = BDB059245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.509  -0.822  -0.085  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.432   0.137  -0.413  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.247   1.132  -0.303  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.228  -2.011   0.029  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -3.768   2.624   1.604  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -3.484   1.305   0.945  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -4.539   0.507   0.475  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -4.280  -0.723  -0.150  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -2.953  -1.147  -0.317  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -1.897  -0.338   0.118  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -2.162   0.881   0.755  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -5.341  -1.550  -0.620  0.00  0.00    -0.240 N 
ATOM     13  N   LIG    1       -5.081  -2.721  -1.257  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -6.279  -3.224  -1.554  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1       -7.327  -2.398  -1.128  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -6.701  -1.328  -0.533  0.00  0.00    +0.114 A 
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  N   LIG    1        1.898  -0.270  -0.220  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        1.960  -1.285  -0.032  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.670   0.565   1.062  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        2.788  -0.334   2.187  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        1.979   1.837   1.184  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.271   0.867   0.409  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        5.043  -0.216   0.005  0.00  0.00    +0.153 A 
ATOM     24  F   LIG    1        4.566  -1.466   0.103  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        6.325  -0.018  -0.519  0.00  0.00    -0.013 A 
ATOM     26  C   LIG    1        7.161  -1.193  -0.929  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1        6.825   1.288  -0.610  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        6.047   2.376  -0.203  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        4.765   2.170   0.308  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 5