REMARK  Name = BDB054400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.325  -0.374   0.347  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.542  -1.363  -0.614  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.845  -1.682  -1.030  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        2.955  -0.998  -0.471  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1        4.248  -1.347  -0.942  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        4.433  -2.369  -1.883  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        3.334  -3.037  -2.407  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.700  -0.033   0.535  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.050  -2.687  -1.990  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        1.400   0.273   0.942  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.477  -0.649  -0.492  0.00  0.00    +0.245 C 
ATOM     12  N   LIG    1        5.483   0.714  -0.712  0.00  0.00    -0.308 N 
ATOM     13  H   LIG    1        4.701   1.133  -1.202  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1        6.409  -1.290  -0.022  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1        6.600   1.535  -0.375  0.00  0.00    +0.073 C 
ATOM     16  C   LIG    1        6.613   2.312   0.912  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1        6.483   3.035  -0.397  0.00  0.00    +0.024 C 
ENDBRANCH  12  15
ENDBRANCH   5  11
BRANCH   1  18
ATOM     18  O   LIG    1       -0.936  -0.086   0.807  0.00  0.00    -0.437 OA
BRANCH  18  27
ATOM     19  C   LIG    1       -5.957   0.308   0.671  0.00  0.00    +0.164 A 
ATOM     20  C   LIG    1       -5.093  -0.268   1.618  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1       -3.717  -0.237   1.386  0.00  0.00    +0.064 A 
ATOM     22  C   LIG    1       -3.196   0.365   0.215  0.00  0.00    +0.066 A 
ATOM     23  C   LIG    1       -4.056   0.938  -0.724  0.00  0.00    +0.082 A 
ATOM     24  N   LIG    1       -3.612   1.521  -1.845  0.00  0.00    -0.235 NA
ATOM     25  C   LIG    1       -2.287   1.545  -2.042  0.00  0.00    +0.225 A 
ATOM     26  N   LIG    1       -1.362   1.036  -1.227  0.00  0.00    -0.201 NA
ATOM     27  C   LIG    1       -1.840   0.445  -0.114  0.00  0.00    +0.231 A 
ATOM     28  C   LIG    1       -5.423   0.900  -0.481  0.00  0.00    +0.078 A 
BRANCH  19  30
ATOM     29  C   LIG    1       -8.204   0.822   0.032  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -7.297   0.242   0.960  0.00  0.00    -0.491 OA
ENDBRANCH  19  30
BRANCH  20  31
ATOM     31  O   LIG    1       -5.685  -0.829   2.719  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -4.842  -1.415   3.701  0.00  0.00    +0.277 C 
ENDBRANCH  20  31
ENDBRANCH  18  27
ENDBRANCH   1  18
TORSDOF 6