REMARK  Name = BDB021737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.381   0.102   0.641  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.063  -1.062   0.274  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.436  -0.938   0.292  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1       -3.797   0.004   0.214  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.478  -2.087  -0.060  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.403  -1.951   0.092  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -5.743  -1.567  -0.112  0.00  0.00    +0.063 A 
ATOM      8 CL   LIG    1       -6.193   0.107  -0.138  0.00  0.00    -0.082 Cl
ATOM      9  C   LIG    1       -6.747  -2.518  -0.303  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -6.417  -3.870  -0.285  0.00  0.00    +0.019 A 
ATOM     11 BR   LIG    1       -7.766  -5.169  -0.542  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1       -5.101  -4.272  -0.074  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -4.098  -3.315   0.117  0.00  0.00    +0.026 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        2.784  -0.732  -0.116  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.366  -0.502   1.273  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.858  -0.702   1.445  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.085   0.195   0.475  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        0.566  -0.034  -0.963  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.083   0.155  -1.052  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        4.258  -0.761  -0.265  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        4.628  -1.506  -1.557  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.941   0.625  -0.186  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.105  -0.150   0.936  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.474   0.608  -0.222  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       -2.006   1.173   1.426  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.383   2.401   0.626  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -2.547   2.386  -0.768  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.932   3.539  -1.454  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.166   4.722  -0.758  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.018   4.753   0.625  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.633   3.601   1.313  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7