REMARK  Name = BDB059258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.107   0.821  -0.641  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1       -1.136   0.516  -1.169  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.274  -0.390  -1.624  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.247   1.589   0.308  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.595  -0.595  -0.997  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1        2.454   0.027  -0.479  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        1.281   0.142  -1.251  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        1.249  -0.357  -2.554  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        2.377  -0.987  -3.060  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1        2.349  -1.472  -4.308  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        3.536  -1.118  -2.301  0.00  0.00    +0.066 A 
BRANCH   5  14
ATOM     12  C   LIG    1        4.524   0.840   1.759  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1        5.233  -0.185   0.953  0.00  0.00    +0.042 A 
ATOM     14  N   LIG    1        4.812  -0.741  -0.256  0.00  0.00    -0.237 N 
ATOM     15  N   LIG    1        5.780  -1.556  -0.767  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1        6.748  -1.572   0.143  0.00  0.00    +0.135 A 
ATOM     17  C   LIG    1        6.465  -0.747   1.230  0.00  0.00    +0.044 A 
ENDBRANCH   5  14
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  N   LIG    1       -2.337   0.952  -0.300  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1       -2.013   1.583   0.454  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -3.155  -0.365   0.433  0.00  0.00    +0.076 S 
ATOM     21  O   LIG    1       -2.928  -1.505  -0.438  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1       -2.791  -0.403   1.830  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.839   0.109   0.298  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1       -5.244   1.308   0.868  0.00  0.00    +0.150 A 
ATOM     25  F   LIG    1       -4.370   2.106   1.496  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1       -6.574   1.709   0.784  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -7.502   0.900   0.125  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -7.095  -0.308  -0.448  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -5.760  -0.709  -0.363  0.00  0.00    +0.031 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5