REMARK  Name = BDB017662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.857  -1.095   2.131  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.992  -0.822   1.303  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.276   0.042   0.126  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -6.684   0.559  -0.010  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -6.799   1.687  -1.041  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -5.997   1.358  -2.294  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -4.614   1.074  -1.924  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.037   0.824  -2.722  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.323   0.324  -0.786  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -2.945  -0.183  -0.579  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -2.693  -1.017   0.521  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -1.420  -1.542   0.760  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.352  -1.220  -0.087  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -0.588  -0.373  -1.176  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -1.867   0.144  -1.415  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.725  -1.318   1.415  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.549  -1.902   2.220  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1        1.031  -1.788   0.165  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.538  -1.528   1.527  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        2.839  -2.222   1.719  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        4.123  -1.351   1.649  0.00  0.00    +0.122 C 
ATOM     22  N   LIG    1        3.968  -0.263   0.669  0.00  0.00    -0.313 N 
ATOM     23  C   LIG    1        2.801   0.613   0.913  0.00  0.00    +0.122 C 
ATOM     24  C   LIG    1        1.726  -0.083   1.785  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.155   0.413   0.358  0.00  0.00    +0.121 A 
ATOM     26  N   LIG    1        6.297   0.082   1.002  0.00  0.00    -0.239 NA
ATOM     27  C   LIG    1        7.439   0.737   0.675  0.00  0.00    +0.132 A 
ATOM     28  C   LIG    1        7.513   1.726  -0.287  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1        8.996   2.509  -0.645  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        6.351   2.061  -0.960  0.00  0.00    +0.025 A 
ATOM     31  C   LIG    1        5.166   1.397  -0.637  0.00  0.00    +0.045 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 3