REMARK  Name = BDB020633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.057  -0.137   1.320  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -1.098  -0.351   0.301  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -0.813  -1.443  -0.700  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -2.212   0.439   0.319  0.00  0.00    +0.044 A 
ATOM      5  N   LIG    1       -2.273   1.476   1.294  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1       -1.277   1.697   2.248  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1       -1.647   2.776   3.017  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -2.876   3.259   2.547  0.00  0.00    +0.035 A 
ATOM      9 BR   LIG    1       -0.719   3.537   4.459  0.00  0.00    -0.048 Br
ATOM     10  C   LIG    1       -3.240   2.452   1.493  0.00  0.00    +0.093 A 
ATOM     11  C   LIG    1       -0.153   0.831   2.250  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   1  14
ATOM     12  N   LIG    1        2.328  -0.351   1.160  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1        2.313   0.657   1.090  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1        1.150  -1.010   1.415  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1        1.064  -2.203   1.672  0.00  0.00    -0.270 OA
BRANCH  12  16
ATOM     16  C   LIG    1        3.600  -0.991   1.400  0.00  0.00    +0.145 C 
BRANCH  16  23
ATOM     17  C   LIG    1        7.892   1.603  -1.543  0.00  0.00    +0.063 C 
ATOM     18  C   LIG    1        6.755   0.894  -0.875  0.00  0.00    +0.016 A 
ATOM     19  N   LIG    1        6.435   1.291   0.400  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        6.962   2.030   0.854  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        5.420   0.754   1.151  0.00  0.00    +0.254 A 
ATOM     22  O   LIG    1        5.165   1.177   2.273  0.00  0.00    -0.268 OA
ATOM     23  C   LIG    1        4.644  -0.364   0.525  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        4.967  -0.755  -0.728  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1        4.276  -1.849  -1.492  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        6.053  -0.097  -1.441  0.00  0.00    +0.024 A 
ENDBRANCH  16  23
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   4  27
ATOM     27  C   LIG    1       -3.420   0.273  -0.625  0.00  0.00    +0.101 C 
ATOM     28  C   LIG    1       -3.098   1.028  -1.929  0.00  0.00    +0.031 C 
BRANCH  27  29
ATOM     29  N   LIG    1       -3.827  -1.140  -0.838  0.00  0.00    -0.290 NA
ATOM     30  C   LIG    1       -4.905  -1.327  -1.835  0.00  0.00    +0.113 C 
ATOM     31  C   LIG    1       -6.292  -0.878  -1.343  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1       -6.660  -1.557  -0.135  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1       -5.677  -1.357   0.890  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1       -4.278  -1.799   0.419  0.00  0.00    +0.113 C 
ENDBRANCH  27  29
ENDBRANCH   4  27
TORSDOF 5