REMARK  Name = BDB033494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.133   1.512  -1.548  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1       -1.262   2.016  -0.671  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.726   0.215  -1.576  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.820  -0.600  -0.440  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -2.417  -1.865  -0.475  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -2.356  -2.390   0.847  0.00  0.00    +0.066 A 
ATOM      7  C   LIG    1       -1.716  -1.470   1.641  0.00  0.00    +0.103 A 
ATOM      8 CL   LIG    1       -2.953  -3.902   1.342  0.00  0.00    -0.081 Cl
ATOM      9  C   LIG    1       -2.918  -2.342  -1.705  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -2.795  -1.553  -2.854  0.00  0.00    +0.003 A 
ATOM     11  N   LIG    1       -1.385  -0.401   0.853  0.00  0.00    -0.358 N 
ATOM     12  H   LIG    1       -0.825   0.394   1.148  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1       -2.202  -0.295  -2.788  0.00  0.00    +0.026 A 
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1        0.509   1.607  -1.980  0.00  0.00    +0.091 S 
ATOM     15  O   LIG    1        0.856   3.012  -2.036  0.00  0.00    -0.148 OA
ATOM     16  O   LIG    1        0.815   0.695  -3.060  0.00  0.00    -0.148 OA
BRANCH  14  21
ATOM     17  C   LIG    1        1.966   0.614   1.431  0.00  0.00    +0.109 A 
ATOM     18  N   LIG    1        3.012   0.196   0.640  0.00  0.00    -0.347 N 
ATOM     19  H   LIG    1        3.872  -0.222   0.971  0.00  0.00    +0.167 HD
ATOM     20  C   LIG    1        2.691   0.456  -0.662  0.00  0.00    +0.133 A 
ATOM     21  C   LIG    1        1.438   1.028  -0.616  0.00  0.00    +0.215 A 
ATOM     22  N   LIG    1        0.988   1.114   0.699  0.00  0.00    -0.213 NA
BRANCH  17  24
ATOM     23  C   LIG    1        2.534   1.752   3.568  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1        1.995   0.489   2.916  0.00  0.00    +0.071 C 
ENDBRANCH  17  24
ENDBRANCH  14  21
ENDBRANCH   1  14
TORSDOF 4