REMARK  Name = BDB045903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.493  -0.432   2.015  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.368  -1.507   2.233  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -1.737  -1.375   1.976  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -2.263  -0.166   1.502  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -1.395   0.910   1.288  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.029   0.775   1.544  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        1.843  -0.424   2.225  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1        2.450  -1.653   2.626  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.960  -1.453   2.760  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        4.453  -3.576   0.173  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        4.840  -2.177   0.423  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        4.655  -1.279   1.454  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        5.270  -0.088   1.135  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        5.774  -0.288  -0.068  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        5.550  -1.548  -0.560  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        6.525   0.630  -0.919  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        7.007   0.251  -2.181  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.724   1.153  -2.973  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        7.968   2.445  -2.514  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.495   2.838  -1.264  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.779   1.936  -0.472  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -3.743  -0.033   1.212  0.00  0.00    +0.065 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.082  -0.038  -0.300  0.00  0.00    +0.170 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.532   0.171  -0.605  0.00  0.00    -0.290 NA
ATOM     25  C   LIG    1       -5.813   0.210  -2.053  0.00  0.00    +0.085 C 
ATOM     26  C   LIG    1       -6.055   1.617  -2.598  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1       -7.242   2.285  -1.909  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -7.433   1.785  -0.480  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -6.112   1.311   0.123  0.00  0.00    +0.085 C 
ENDBRANCH  23  24
BRANCH  23  30
ATOM     30  C   LIG    1       -3.635  -1.405  -0.845  0.00  0.00    +0.322 C 
ATOM     31  O   LIG    1       -4.004  -2.511  -0.477  0.00  0.00    -0.249 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -2.732  -1.297  -1.846  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -2.533  -2.229  -2.074  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  23  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10