REMARK  Name = BDB055395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.883   1.004   0.652  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1        1.804   0.125   0.028  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.169  -0.962  -0.496  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        1.781  -1.986  -1.158  0.00  0.00    -0.316 N 
ATOM      5  H   LIG    1        1.254  -2.761  -1.537  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        3.149  -1.953  -1.341  0.00  0.00    +0.264 A 
ATOM      7  C   LIG    1        3.906  -0.781  -0.764  0.00  0.00    +0.124 A 
ATOM      8  O   LIG    1        3.698  -2.856  -1.966  0.00  0.00    -0.267 OA
ATOM      9  S   LIG    1       -0.490  -0.977  -0.266  0.00  0.00    -0.065 S 
ATOM     10  C   LIG    1        3.220   0.190  -0.117  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -0.427   0.544   0.560  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.227   2.154   1.271  0.00  0.00    -0.356 N 
ATOM     13  H   LIG    1        2.123   2.611   1.136  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1        0.496   2.788   1.606  0.00  0.00    +0.142 HD
ENDBRANCH   1  12
BRANCH   7  15
ATOM     15  C   LIG    1        5.377  -0.702  -0.878  0.00  0.00    +0.342 C 
ATOM     16  O   LIG    1        6.142  -1.589  -1.206  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        5.871   0.515  -0.569  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        6.837   0.401  -0.704  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   7  15
BRANCH  11  19
ATOM     19  C   LIG    1       -1.629   1.192   1.073  0.00  0.00    +0.203 C 
ATOM     20  O   LIG    1       -1.619   2.230   1.738  0.00  0.00    -0.286 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -2.958   0.599   0.837  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1       -3.630   0.767  -0.378  0.00  0.00    +0.052 A 
ATOM     23 CL   LIG    1       -2.962   1.673  -1.686  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -4.892   0.192  -0.549  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1       -5.480  -0.534   0.490  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.814  -0.683   1.707  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.554  -0.113   1.886  0.00  0.00    +0.013 A 
ENDBRANCH  19  21
ENDBRANCH  11  19
TORSDOF 5