REMARK  Name = BDB020721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.040  -0.736   1.136  0.00  0.00    -0.023 A 
ATOM      2  C   LIG    1       -1.113   0.446   1.116  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -1.687   1.831   0.917  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        0.215   0.232   1.313  0.00  0.00    +0.112 A 
ATOM      5  N   LIG    1        0.682  -1.058   1.582  0.00  0.00    -0.311 N 
ATOM      6  C   LIG    1       -0.151  -2.164   1.648  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        0.610  -3.282   1.924  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        1.942  -2.844   2.019  0.00  0.00    +0.036 A 
ATOM      9 BR   LIG    1        3.400  -3.962   2.376  0.00  0.00    -0.049 Br
ATOM     10  C   LIG    1        1.976  -1.490   1.808  0.00  0.00    +0.107 A 
ATOM     11  C   LIG    1       -1.538  -1.961   1.425  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        1.178   1.361   1.254  0.00  0.00    +0.261 C 
ATOM     13  N   LIG    1        1.409   1.806  -0.024  0.00  0.00    -0.306 N 
ATOM     14  H   LIG    1        0.996   1.308  -0.805  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1        1.736   1.786   2.257  0.00  0.00    -0.269 OA
BRANCH  13  16
ATOM     16  C   LIG    1        2.499   2.703  -0.335  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.724   1.892  -0.646  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        3.695   1.214  -1.986  0.00  0.00    +0.254 A 
ATOM     19  O   LIG    1        2.724   1.296  -2.734  0.00  0.00    -0.268 OA
ATOM     20  N   LIG    1        4.801   0.481  -2.330  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1        4.757   0.029  -3.235  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1        5.903   0.316  -1.530  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        7.012  -0.537  -2.061  0.00  0.00    +0.063 C 
ATOM     24  C   LIG    1        5.930   0.912  -0.329  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        4.817   1.731   0.133  0.00  0.00    -0.039 A 
ATOM     26  C   LIG    1        5.011   2.322   1.502  0.00  0.00    +0.044 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   4  12
BRANCH   1  27
ATOM     27  C   LIG    1       -3.550  -0.511   0.864  0.00  0.00    +0.087 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.796   0.069  -0.463  0.00  0.00    -0.291 NA
ATOM     29  C   LIG    1       -3.229  -0.602  -1.637  0.00  0.00    +0.113 C 
ATOM     30  C   LIG    1       -4.200  -0.688  -2.829  0.00  0.00    +0.175 C 
ATOM     31  O   LIG    1       -4.792   0.566  -3.179  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1       -5.139   1.373  -2.047  0.00  0.00    +0.175 C 
ATOM     33  C   LIG    1       -5.124   0.629  -0.701  0.00  0.00    +0.113 C 
ENDBRANCH  27  28
BRANCH  27  35
ATOM     34  C   LIG    1       -4.686  -2.828   0.302  0.00  0.00    +0.006 C 
ATOM     35  C   LIG    1       -4.527  -1.658   1.265  0.00  0.00    +0.020 C 
ENDBRANCH  27  35
ENDBRANCH   1  27
TORSDOF 6