REMARK  Name = BDB049992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.166  -1.043  -0.971  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        0.979  -0.483  -1.391  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1        1.962  -1.292  -1.808  0.00  0.00    +0.192 A 
ATOM      4  N   LIG    1        1.877  -2.620  -1.868  0.00  0.00    -0.210 NA
ATOM      5  C   LIG    1        0.721  -3.134  -1.432  0.00  0.00    +0.135 A 
ATOM      6 CL   LIG    1        0.643  -4.848  -1.486  0.00  0.00    -0.062 Cl
ATOM      7  C   LIG    1       -0.339  -2.404  -0.963  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -1.123  -0.155  -0.477  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1       -0.756   0.793  -0.523  0.00  0.00    +0.154 HD
BRANCH   8  14
ATOM     10  C   LIG    1       -5.508   1.473   1.286  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.682   0.625   0.356  0.00  0.00    -0.046 A 
ATOM     12  C   LIG    1       -3.267   0.610   0.412  0.00  0.00    -0.026 A 
ATOM     13  C   LIG    1       -2.536   1.472   1.416  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -2.534  -0.184  -0.507  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1       -3.234  -0.976  -1.429  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -4.627  -0.985  -1.458  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.345  -0.190  -0.572  0.00  0.00    +0.004 A 
ENDBRANCH   8  14
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  S   LIG    1        3.472  -0.560  -2.373  0.00  0.00    -0.066 S 
BRANCH  18  19
ATOM     19  C   LIG    1        3.635   0.854  -1.208  0.00  0.00    +0.192 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.942   0.390   0.213  0.00  0.00    -0.023 A 
ATOM     21  C   LIG    1        5.271   0.067   0.549  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        5.602  -0.391   1.826  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.610  -0.541   2.790  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.289  -0.237   2.476  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        2.957   0.220   1.198  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  C   LIG    1        2.519   1.883  -1.391  0.00  0.00    +0.323 C 
ATOM     27  O   LIG    1        1.796   2.386  -0.543  0.00  0.00    -0.249 OA
BRANCH  26  28
ATOM     28  O   LIG    1        2.401   2.310  -2.674  0.00  0.00    -0.480 OA
ATOM     29  H   LIG    1        1.658   2.949  -2.644  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  19  26
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7