REMARK  Name = BDB045993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.761   0.845  -2.276  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -3.542   1.031  -1.634  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.450   0.102  -1.280  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -1.435   0.845  -0.694  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1       -1.815   2.227  -0.494  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -2.456  -1.102  -1.456  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.152   2.294  -1.153  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -3.962   3.409  -1.295  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -5.188   3.249  -1.932  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.580   1.988  -2.413  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.275   0.229  -0.043  0.00  0.00    +0.079 C 
ATOM     12  C   LIG    1        0.952   1.137  -0.007  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1        2.159   0.402   0.590  0.00  0.00    +0.086 C 
ATOM     14  N   LIG    1        1.798  -0.616   1.591  0.00  0.00    -0.298 NA
ATOM     15  C   LIG    1        0.581  -0.258   2.317  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -0.624  -0.267   1.372  0.00  0.00    +0.038 C 
BRANCH  14  17
ATOM     17  C   LIG    1        2.913  -0.903   2.512  0.00  0.00    +0.120 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.100  -1.552   1.827  0.00  0.00    -0.019 A 
ATOM     19  C   LIG    1        5.391  -1.000   1.797  0.00  0.00    +0.022 A 
ATOM     20 BR   LIG    1        5.820   0.666   2.605  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        6.437  -1.671   1.150  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        6.212  -2.898   0.528  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.941  -3.460   0.548  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.897  -2.795   1.192  0.00  0.00    +0.006 A 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   4  11
BRANCH   1  28
ATOM     25  N   LIG    1       -4.524  -1.527  -2.930  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -4.964  -2.385  -3.233  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -3.627  -1.618  -2.455  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1       -5.308  -0.420  -2.844  0.00  0.00    +0.242 C 
ATOM     29  O   LIG    1       -6.464  -0.471  -3.254  0.00  0.00    -0.270 OA
ENDBRANCH   1  28
TORSDOF 4