REMARK  Name = BDB004784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.872   2.678  -1.524  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -1.201   1.221  -1.867  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        0.066   0.466  -2.253  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1        1.124   0.292  -1.339  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.286  -0.408  -1.690  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        2.385  -0.948  -2.972  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        1.343  -0.789  -3.889  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.191  -0.088  -3.534  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1        3.287  -0.526  -0.705  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1        3.094  -0.075   0.180  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        4.524  -1.128  -0.831  0.00  0.00    +0.248 C 
ATOM     12  O   LIG    1        5.006  -1.642  -1.833  0.00  0.00    -0.270 OA
BRANCH  11  13
ATOM     13  C   LIG    1        5.314  -1.066   0.446  0.00  0.00    +0.033 C 
ATOM     14  C   LIG    1        4.736  -1.473   1.714  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1        5.378  -1.259   2.873  0.00  0.00    -0.011 C 
ATOM     16  C   LIG    1        6.735  -0.615   2.926  0.00  0.00    +0.083 C 
ATOM     17 BR   LIG    1        6.432   1.230   3.527  0.00  0.00    -0.083 Br
ATOM     18  C   LIG    1        7.491  -0.606   1.584  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1        6.602  -0.684   0.369  0.00  0.00    -0.013 C 
ENDBRANCH  11  13
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  20
ATOM     20  N   LIG    1       -1.802   0.533  -0.716  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1       -1.683  -0.473  -0.811  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.172   0.774  -0.468  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1       -3.788   0.155   0.641  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -5.161   0.414   0.828  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1       -5.797  -0.206   1.924  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -5.087  -1.044   2.806  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -3.735  -1.279   2.622  0.00  0.00    +0.002 A 
ATOM     28  N   LIG    1       -5.822   1.231  -0.023  0.00  0.00    -0.235 NA
ATOM     29  C   LIG    1       -5.132   1.783  -1.028  0.00  0.00    +0.223 A 
ATOM     30  C   LIG    1       -3.091  -0.682   1.548  0.00  0.00    +0.013 A 
ATOM     31  N   LIG    1       -3.841   1.593  -1.291  0.00  0.00    -0.220 NA
BRANCH  25  32
ATOM     32  C   LIG    1       -7.250  -0.027   2.238  0.00  0.00    +0.244 C 
ATOM     33  O   LIG    1       -7.771  -0.577   3.203  0.00  0.00    -0.270 OA
ATOM     34  N   LIG    1       -8.000   0.768   1.423  0.00  0.00    -0.325 N 
ATOM     35  H   LIG    1       -7.581   1.244   0.630  0.00  0.00    +0.145 HD
ATOM     36  H   LIG    1       -8.977   0.905   1.635  0.00  0.00    +0.145 HD
ENDBRANCH  25  32
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6