REMARK  Name = BDB014362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.132  -0.785  -1.798  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.617   0.352  -1.534  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.163   1.233  -1.728  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.336  -1.887  -2.058  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.957   0.371  -1.264  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.754  -0.730  -0.638  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -2.292  -1.720  -0.094  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.099  -0.315  -0.647  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -4.120   1.070  -1.015  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -5.279   1.500  -1.796  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -2.814   1.397  -1.404  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.497   2.758  -1.937  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.014  -0.829   0.376  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -5.227   0.143   1.549  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -6.149  -0.456   2.610  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -7.473  -0.921   2.009  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -7.258  -1.896   0.855  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -6.346  -1.306  -0.220  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        1.969   0.887   0.325  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        2.381   0.247  -0.948  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        3.638   0.227  -1.523  0.00  0.00    +0.169 A 
ATOM     22  O   LIG    1        3.589  -0.497  -2.673  0.00  0.00    -0.356 OA
ATOM     23  N   LIG    1        2.314  -0.966  -2.881  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1        1.574  -0.509  -1.859  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1        4.981   0.780  -1.198  0.00  0.00    +0.187 C 
ATOM     26  O   LIG    1        4.826   1.780  -0.175  0.00  0.00    -0.368 OA
ATOM     27  C   LIG    1        5.630   1.403   0.956  0.00  0.00    +0.165 C 
ATOM     28  C   LIG    1        5.813  -0.106   0.857  0.00  0.00    +0.034 C 
ATOM     29  C   LIG    1        5.943  -0.269  -0.652  0.00  0.00    +0.046 C 
BRANCH  28  30
ATOM     30  C   LIG    1        6.943  -0.728   1.702  0.00  0.00    +0.026 C 
ATOM     31 BR   LIG    1        6.434  -0.528   3.617  0.00  0.00    -0.085 Br
ATOM     32  C   LIG    1        8.316  -0.069   1.544  0.00  0.00    +0.023 C 
ATOM     33  C   LIG    1        7.057  -2.237   1.449  0.00  0.00    +0.023 C 
ENDBRANCH  28  30
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 5