REMARK  Name = BDB055638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.661   1.678   0.573  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1       -1.931   1.078   0.344  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.726   0.053  -0.579  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.763  -0.766  -1.048  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -4.056  -0.532  -0.554  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -4.288   0.489   0.374  0.00  0.00    +0.016 A 
ATOM      7  N   LIG    1       -0.385   0.047  -0.892  0.00  0.00    -0.355 N 
ATOM      8  H   LIG    1        0.034  -0.588  -1.561  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1       -3.239   1.298   0.829  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.287   1.035  -0.200  0.00  0.00    +0.062 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        1.761   1.262  -0.354  0.00  0.00    +0.155 C 
ATOM     12  C   LIG    1        2.606   0.307   0.456  0.00  0.00    -0.007 A 
ATOM     13  C   LIG    1        3.457  -0.403  -0.392  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1        4.353  -1.341   0.087  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        4.394  -1.564   1.464  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        3.544  -0.847   2.327  0.00  0.00    +0.001 A 
ATOM     17 BR   LIG    1        5.493  -2.304  -1.066  0.00  0.00    -0.048 Br
ATOM     18  N   LIG    1        3.234  -0.016  -1.708  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1        3.719  -0.390  -2.512  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        2.643   0.098   1.825  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        2.240   0.951  -1.796  0.00  0.00    +0.231 C 
ATOM     22  O   LIG    1        1.811   1.417  -2.839  0.00  0.00    -0.274 OA
ENDBRANCH  10  11
BRANCH   1  24
ATOM     23  O   LIG    1        0.697   3.020   1.842  0.00  0.00    -0.143 OA
ATOM     24  N   LIG    1       -0.468   2.806   1.495  0.00  0.00    -0.028 NA
ENDBRANCH   1  24
BRANCH   5  25
ATOM     25  C   LIG    1       -5.214  -1.350  -0.993  0.00  0.00    +0.337 C 
ATOM     26  O   LIG    1       -6.365  -1.217  -0.620  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -4.876  -2.301  -1.882  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1       -5.726  -2.748  -2.078  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH   5  25
TORSDOF 4