REMARK  Name = BDB021680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.038  -0.524  -0.218  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.945  -1.499   0.231  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.219  -1.359  -0.280  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.456  -0.430  -0.592  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.614  -2.375   1.024  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.301  -2.252  -0.135  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -4.170  -3.566   0.320  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -5.292  -4.399   0.421  0.00  0.00    +0.061 A 
ATOM      9 CL   LIG    1       -5.049  -6.014   0.990  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1       -6.555  -3.920   0.059  0.00  0.00    +0.059 A 
ATOM     11 CL   LIG    1       -7.982  -4.889   0.155  0.00  0.00    -0.082 Cl
ATOM     12  C   LIG    1       -6.689  -2.611  -0.406  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -5.567  -1.784  -0.506  0.00  0.00    +0.025 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        3.083  -0.561   0.854  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.698  -1.140  -0.428  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        1.228  -1.570  -0.391  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.328  -0.566   0.356  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        1.005   0.805   0.467  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.368   0.685   1.160  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        4.533  -0.465   1.120  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        5.079  -1.862   1.449  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        5.335   0.213  -0.016  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.085   1.346   1.463  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.824   0.439   0.272  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1       -1.234   0.185  -1.487  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.010   1.484  -1.387  0.00  0.00    -0.026 A 
ATOM     27  C   LIG    1       -2.355   2.075  -0.159  0.00  0.00    +0.054 A 
ATOM     28  C   LIG    1       -3.063   3.259  -0.177  0.00  0.00    +0.167 A 
ATOM     29  O   LIG    1       -3.477   3.951   0.918  0.00  0.00    -0.453 OA
ATOM     30  C   LIG    1       -4.138   5.073   0.297  0.00  0.00    +0.466 C 
ATOM     31  O   LIG    1       -4.122   5.021  -1.145  0.00  0.00    -0.453 OA
ATOM     32  C   LIG    1       -3.431   3.868  -1.351  0.00  0.00    +0.166 A 
ATOM     33  C   LIG    1       -3.111   3.329  -2.576  0.00  0.00    +0.050 A 
ATOM     34  C   LIG    1       -2.392   2.128  -2.590  0.00  0.00    +0.009 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7