REMARK  Name = BDB015518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.460  -0.893   0.179  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        1.674   0.168   0.984  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.628   0.619   1.690  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.601   0.081   1.689  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1       -0.759  -0.963   0.874  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1        0.234  -1.516   0.107  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        6.467  -1.635  -0.221  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1        5.067  -1.708  -0.740  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        4.882  -2.275  -2.114  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1        5.856  -2.675  -2.749  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1        3.571  -2.303  -2.586  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1        3.311  -2.816  -3.923  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1        2.495  -1.855  -1.834  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1        2.641  -1.369  -0.587  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        3.993  -1.288  -0.052  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  N   LIG    1       -2.069  -1.473   0.928  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -2.581  -1.163   1.752  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.996  -1.550  -0.458  0.00  0.00    +0.049 S 
ATOM     19  O   LIG    1       -4.178  -2.293  -0.069  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -2.171  -2.022  -1.551  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.524   0.183  -0.808  0.00  0.00    +0.098 C 
ATOM     22  C   LIG    1       -4.059   0.850   0.465  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -4.655   0.118  -1.853  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -2.368   1.000  -1.397  0.00  0.00    +0.037 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   3  25
ATOM     25  O   LIG    1        0.907   1.690   2.529  0.00  0.00    -0.421 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -0.171   2.430   2.947  0.00  0.00    +0.167 A 
ATOM     27  C   LIG    1       -0.961   3.156   2.051  0.00  0.00    +0.168 A 
ATOM     28  F   LIG    1       -0.702   3.121   0.736  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -2.023   3.927   2.506  0.00  0.00    +0.080 A 
ATOM     30  C   LIG    1       -2.279   3.977   3.870  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1       -3.302   4.716   4.320  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -1.488   3.279   4.780  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -0.421   2.506   4.319  0.00  0.00    +0.052 A 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 6