REMARK  Name = BDB015523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.271   0.089   0.218  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1       -0.431   1.412   0.018  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.679   2.148  -0.152  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        1.930   1.674  -0.129  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1        2.034   0.357   0.059  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1        0.977  -0.490   0.280  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -5.068  -0.226   1.849  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -3.843  -0.793   1.208  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.925  -2.207   0.721  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -4.957  -2.853   0.881  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -2.781  -2.699   0.093  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -2.792  -4.054  -0.435  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -1.627  -1.946  -0.054  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1       -1.524  -0.685   0.410  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -2.701  -0.107   1.044  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  N   LIG    1        3.391  -0.052   0.116  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1        3.944   0.798  -0.019  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.856  -1.184  -1.054  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1        4.212  -0.423  -2.231  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.878  -2.250  -1.112  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        5.368  -1.838  -0.318  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1        5.098  -2.491   1.033  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        6.024  -2.829  -1.275  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   3  24
ATOM     24  O   LIG    1        0.582   3.523  -0.340  0.00  0.00    -0.424 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -0.688   4.036  -0.427  0.00  0.00    +0.132 A 
ATOM     26  C   LIG    1       -1.213   4.718   0.673  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -2.487   5.278   0.589  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -3.210   5.164  -0.596  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1       -4.433   5.703  -0.674  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -2.681   4.505  -1.702  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -1.407   3.943  -1.622  0.00  0.00    +0.049 A 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 6