REMARK  Name = BDB020720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.757  -0.498  -2.434  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -0.044  -0.415  -1.147  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -0.562   0.613  -0.169  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        1.060  -1.196  -0.949  0.00  0.00    +0.044 A 
ATOM      5  N   LIG    1        1.518  -1.983  -2.044  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1        0.861  -2.031  -3.281  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        1.537  -2.879  -4.133  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        2.648  -3.346  -3.423  0.00  0.00    +0.036 A 
ATOM      9 BR   LIG    1        3.936  -4.513  -4.120  0.00  0.00    -0.049 Br
ATOM     10  C   LIG    1        2.629  -2.798  -2.168  0.00  0.00    +0.107 A 
ATOM     11  C   LIG    1       -0.316  -1.260  -3.450  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  14
ATOM     12  N   LIG    1       -3.049  -0.156  -1.851  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1       -2.868  -0.892  -1.183  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1       -2.041   0.215  -2.710  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1       -2.156   1.014  -3.630  0.00  0.00    -0.270 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -4.356   0.469  -1.859  0.00  0.00    +0.145 C 
BRANCH  16  23
ATOM     17  C   LIG    1       -5.345   2.993   3.294  0.00  0.00    +0.063 C 
ATOM     18  C   LIG    1       -5.114   2.256   2.012  0.00  0.00    +0.016 A 
ATOM     19  N   LIG    1       -4.866   3.009   0.893  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -4.858   4.020   0.946  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -4.637   2.499  -0.360  0.00  0.00    +0.254 A 
ATOM     22  O   LIG    1       -4.451   3.247  -1.315  0.00  0.00    -0.268 OA
ATOM     23  C   LIG    1       -4.640   1.003  -0.484  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1       -4.913   0.268   0.620  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1       -4.999  -1.232   0.657  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -5.141   0.920   1.901  0.00  0.00    +0.024 A 
ENDBRANCH  16  23
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   4  27
ATOM     27  C   LIG    1        1.789  -1.239   0.406  0.00  0.00    +0.101 C 
ATOM     28  C   LIG    1        1.863  -2.644   1.036  0.00  0.00    +0.031 C 
BRANCH  27  29
ATOM     29  N   LIG    1        2.986  -0.386   0.381  0.00  0.00    -0.291 NA
ATOM     30  C   LIG    1        3.345   0.144   1.717  0.00  0.00    +0.105 C 
ATOM     31  C   LIG    1        4.834  -0.106   1.387  0.00  0.00    +0.084 C 
ATOM     32  C   LIG    1        4.298  -1.065   0.297  0.00  0.00    +0.105 C 
BRANCH  31  33
ATOM     33  N   LIG    1        5.579   1.057   0.833  0.00  0.00    -0.303 NA
ATOM     34  C   LIG    1        6.006   1.920   1.935  0.00  0.00    +0.105 C 
ATOM     35  C   LIG    1        4.879   1.846  -0.184  0.00  0.00    +0.105 C 
ENDBRANCH  31  33
ENDBRANCH  27  29
ENDBRANCH   4  27
TORSDOF 6