REMARK  Name = BDB047295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.602  -0.481  -0.721  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1       -1.400   0.158   0.536  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -2.375   0.106   1.558  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -3.499  -0.663   1.292  0.00  0.00    +0.164 A 
ATOM      5  O   LIG    1       -4.574  -0.855   2.156  0.00  0.00    -0.407 OA
ATOM      6  C   LIG    1       -5.429  -1.685   1.418  0.00  0.00    +0.421 A 
ATOM      7  N   LIG    1       -4.887  -1.967   0.183  0.00  0.00    -0.277 N 
ATOM      8  C   LIG    1       -5.487  -2.765  -0.846  0.00  0.00    +0.156 C 
ATOM      9  O   LIG    1       -6.503  -2.081   1.847  0.00  0.00    -0.223 OA
ATOM     10  C   LIG    1       -3.676  -1.324   0.094  0.00  0.00    +0.091 A 
ATOM     11  C   LIG    1       -2.760  -1.253  -0.929  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -0.631  -0.336  -1.874  0.00  0.00    +0.038 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -1.889   1.450  -3.186  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -0.590   1.065  -2.492  0.00  0.00    +0.001 C 
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   2  15
ATOM     15  O   LIG    1       -0.268   0.922   0.707  0.00  0.00    -0.472 OA
BRANCH  15  16
ATOM     16  C   LIG    1        0.766   0.244   1.445  0.00  0.00    +0.311 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.974   0.005   0.551  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        2.600  -1.248   0.526  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        3.714  -1.470  -0.288  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        4.232  -0.445  -1.093  0.00  0.00    -0.045 A 
ATOM     21  C   LIG    1        3.610   0.810  -1.060  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        2.497   1.034  -0.245  0.00  0.00    +0.008 A 
BRANCH  20  23
ATOM     23  C   LIG    1        5.440  -0.665  -1.987  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        6.685  -1.024  -1.173  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1        5.162  -1.726  -3.055  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH  16  17
BRANCH  16  26
ATOM     26  C   LIG    1        1.204   1.047   2.679  0.00  0.00    +0.351 C 
ATOM     27  O   LIG    1        1.670   0.577   3.709  0.00  0.00    -0.246 OA
BRANCH  26  28
ATOM     28  O   LIG    1        1.068   2.386   2.561  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1        1.414   2.738   3.407  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  16  26
ENDBRANCH  15  16
ENDBRANCH   2  15
BRANCH   3  30
ATOM     30  C   LIG    1       -2.278   0.876   2.849  0.00  0.00    +0.042 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -2.535   2.371   2.650  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1       -2.426   3.130   3.963  0.00  0.00    +0.004 C 
ENDBRANCH  30  31
ENDBRANCH   3  30
TORSDOF 10