REMARK  Name = BDB055655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.417   0.398  -0.261  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1        1.778   0.017  -0.075  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        1.888  -0.416   1.248  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        3.090  -0.870   1.805  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        4.220  -0.883   0.983  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        4.154  -0.454  -0.346  0.00  0.00    +0.060 A 
ATOM      7  N   LIG    1        0.645  -0.289   1.828  0.00  0.00    -0.355 N 
ATOM      8  H   LIG    1        0.449  -0.509   2.796  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1        2.938   0.000  -0.883  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -0.272   0.191   0.919  0.00  0.00    +0.062 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -1.697   0.412   1.317  0.00  0.00    +0.155 C 
ATOM     12  C   LIG    1       -2.721  -0.116   0.345  0.00  0.00    -0.007 A 
ATOM     13  C   LIG    1       -3.530   0.936  -0.093  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1       -4.560   0.738  -0.993  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -4.781  -0.559  -1.460  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1       -3.973  -1.624  -1.019  0.00  0.00    +0.001 A 
ATOM     17 BR   LIG    1       -5.648   2.160  -1.587  0.00  0.00    -0.048 Br
ATOM     18  N   LIG    1       -3.117   2.123   0.504  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -3.526   3.030   0.332  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -2.934  -1.408  -0.107  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -2.029   1.922   1.344  0.00  0.00    +0.231 C 
ATOM     22  O   LIG    1       -1.462   2.787   1.993  0.00  0.00    -0.274 OA
ENDBRANCH  10  11
BRANCH   1  24
ATOM     23  O   LIG    1        0.414   0.722  -2.527  0.00  0.00    -0.143 OA
ATOM     24  N   LIG    1       -0.200   0.941  -1.478  0.00  0.00    -0.028 NA
ENDBRANCH   1  24
BRANCH   6  25
ATOM     25  C   LIG    1        5.397  -0.493  -1.154  0.00  0.00    +0.337 C 
ATOM     26  O   LIG    1        6.486  -0.878  -0.767  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1        5.221  -0.050  -2.410  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1        6.108  -0.129  -2.818  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH   6  25
TORSDOF 4