REMARK  Name = BDB061970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.201   0.407  -0.250  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -1.700   1.528  -0.885  0.00  0.00    -0.327 N 
ATOM      3  C   LIG    1       -2.473   2.570  -1.519  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1       -0.325   1.460  -0.869  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1       -0.052   0.241  -0.261  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1        1.281  -0.172  -0.090  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1        2.316   0.658  -0.534  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        2.007   1.886  -1.140  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        0.684   2.313  -1.324  0.00  0.00    +0.030 A 
ATOM     10  N   LIG    1       -1.212  -0.397   0.093  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -6.338  -0.506   0.393  0.00  0.00    -0.048 A 
ATOM     12  C   LIG    1       -5.479  -1.440  -0.198  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -4.130  -1.133  -0.397  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.619   0.116  -0.027  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -4.476   1.044   0.578  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -5.826   0.738   0.779  0.00  0.00    +0.004 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -8.639  -0.426  -0.600  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -7.796  -0.832   0.598  0.00  0.00    +0.032 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   7  19
ATOM     19  N   LIG    1        3.688   0.342  -0.407  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1        4.328   1.037  -0.773  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        4.242  -0.815   0.102  0.00  0.00    +0.250 C 
ATOM     22  O   LIG    1        3.636  -1.780   0.551  0.00  0.00    -0.270 OA
BRANCH  21  23
ATOM     23  C   LIG    1        5.732  -0.864   0.155  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1        6.588  -0.343  -0.829  0.00  0.00    +0.053 A 
ATOM     25 CL   LIG    1        6.028   0.422  -2.273  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        7.978  -0.455  -0.680  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        8.527  -1.088   0.437  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        7.677  -1.619   1.413  0.00  0.00    +0.127 A 
ATOM     29  C   LIG    1        6.287  -1.513   1.277  0.00  0.00    +0.047 A 
BRANCH  28  30
ATOM     30  N   LIG    1        8.249  -2.287   2.590  0.00  0.00    +0.056 N 
ATOM     31  O   LIG    1        9.471  -2.488   2.595  0.00  0.00    -0.126 OA
ATOM     32  O   LIG    1        7.478  -2.598   3.506  0.00  0.00    -0.126 OA
ENDBRANCH  28  30
ENDBRANCH  21  23
ENDBRANCH   7  19
TORSDOF 5