REMARK  Name = BDB053914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.943   0.072   0.801  0.00  0.00    +0.255 C 
ATOM      2  N   LIG    1        0.433   0.785  -0.299  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.904   0.566  -1.665  0.00  0.00    +0.132 C 
ATOM      4  O   LIG    1        0.265  -0.076   1.818  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        1.844  -2.874   1.546  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1        2.695  -1.759   1.054  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        2.277  -0.487   0.712  0.00  0.00    +0.097 A 
ATOM      8  S   LIG    1        3.632   0.473   0.296  0.00  0.00    -0.062 S 
ATOM      9  C   LIG    1        4.674  -0.883   0.507  0.00  0.00    +0.109 A 
ATOM     10  N   LIG    1        4.054  -1.983   0.895  0.00  0.00    -0.243 NA
BRANCH   9  11
ATOM     11  C   LIG    1        6.131  -0.807   0.265  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        6.890  -1.990   0.339  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        8.272  -1.985   0.119  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        8.918  -0.790  -0.177  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       10.615  -0.776  -0.449  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        8.193   0.396  -0.254  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        6.810   0.387  -0.034  0.00  0.00    +0.012 A 
ENDBRANCH   9  11
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1       -0.831   1.531  -0.102  0.00  0.00    +0.093 C 
ATOM     19  C   LIG    1       -2.082   0.635  -0.285  0.00  0.00    +0.127 C 
ATOM     20  N   LIG    1       -3.321   1.413  -0.074  0.00  0.00    -0.328 N 
ATOM     21  C   LIG    1       -3.447   2.596  -0.945  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1       -2.247   3.519  -0.738  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1       -0.932   2.784  -0.988  0.00  0.00    +0.025 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -4.521   0.694   0.070  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1       -4.678  -0.638  -0.337  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -5.893  -1.312  -0.149  0.00  0.00    +0.061 A 
ATOM     27  C   LIG    1       -6.987  -0.664   0.429  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -6.849   0.653   0.849  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -5.628   1.315   0.677  0.00  0.00    +0.023 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -5.991  -2.715  -0.606  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1       -5.530  -3.107  -1.663  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.605  -3.514   0.291  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -6.759  -3.097   1.160  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  20  24
ENDBRANCH   2  18
TORSDOF 6