REMARK  Name = BDB006632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.244  -1.914   0.876  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1        2.569  -3.040   0.139  0.00  0.00    -0.235 N 
ATOM      3  C   LIG    1        3.709  -3.906   0.322  0.00  0.00    +0.176 C 
ATOM      4  N   LIG    1        1.675  -3.323  -0.849  0.00  0.00    -0.163 NA
ATOM      5  C   LIG    1        0.749  -2.383  -0.671  0.00  0.00    +0.157 A 
ATOM      6  C   LIG    1       -0.518  -2.052  -1.288  0.00  0.00    +0.272 C 
ATOM      7  N   LIG    1       -0.999  -0.922  -0.553  0.00  0.00    -0.253 N 
ATOM      8  C   LIG    1       -0.031  -0.514   0.520  0.00  0.00    +0.149 C 
ATOM      9  O   LIG    1       -1.027  -2.651  -2.222  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1        1.043  -1.508   0.364  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -2.232  -0.285  -0.729  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -2.663   0.698   0.089  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -3.881   1.338  -0.073  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -4.242   2.389   0.866  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -4.768   1.014  -1.096  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -5.857   1.555  -1.266  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -4.313  -0.068  -2.021  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -5.238  -0.430  -3.139  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -3.119  -0.654  -1.821  0.00  0.00    +0.033 A 
ENDBRANCH   7  11
BRANCH   8  20
ATOM     20  C   LIG    1        0.627   0.840   0.324  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1        0.996   1.592   1.456  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        1.613   2.837   1.318  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        1.873   3.345   0.048  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        2.638   4.875  -0.119  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        1.520   2.618  -1.085  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.903   1.371  -0.950  0.00  0.00    +0.007 A 
ENDBRANCH   8  20
BRANCH   1  27
ATOM     27  O   LIG    1        2.982  -1.451   1.883  0.00  0.00    -0.477 OA
BRANCH  27  29
ATOM     28  C   LIG    1        4.638   0.070   2.688  0.00  0.00    +0.048 C 
ATOM     29  C   LIG    1        4.058  -0.606   1.461  0.00  0.00    +0.227 C 
ENDBRANCH  27  29
ENDBRANCH   1  27
TORSDOF 4