REMARK  Name = BDB047299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.478  -1.912  -1.335  0.00  0.00    -0.004 A 
ATOM      2  C   LIG    1       -0.804  -0.856  -0.646  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -1.510   0.141   0.070  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -2.892   0.116  -0.043  0.00  0.00    +0.175 A 
ATOM      5  C   LIG    1       -3.543  -0.868  -0.752  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -4.958  -0.617  -0.582  0.00  0.00    +0.291 A 
ATOM      7  N   LIG    1       -5.057   0.597   0.075  0.00  0.00    -0.168 N 
ATOM      8  O   LIG    1       -5.843  -1.379  -0.925  0.00  0.00    -0.264 OA
ATOM      9  O   LIG    1       -3.764   0.996   0.549  0.00  0.00    -0.373 OA
ATOM     10  C   LIG    1       -2.881  -1.906  -1.375  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -6.148   0.907   0.997  0.00  0.00    +0.121 C 
ATOM     12  C   LIG    1       -6.012   0.156   2.324  0.00  0.00    +0.034 C 
ATOM     13  C   LIG    1       -6.263   2.413   1.224  0.00  0.00    +0.034 C 
ENDBRANCH   7  11
BRANCH   1  14
ATOM     14  C   LIG    1       -0.689  -3.085  -1.897  0.00  0.00    +0.038 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -1.447  -3.119  -4.337  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -1.314  -3.901  -3.038  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  O   LIG    1        0.568  -0.917  -0.595  0.00  0.00    -0.472 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.232   0.107  -1.356  0.00  0.00    +0.311 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.533   0.432  -0.622  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        3.294  -0.580  -0.013  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        4.498  -0.277   0.628  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        4.977   1.039   0.669  0.00  0.00    -0.045 A 
ATOM     23  C   LIG    1        4.219   2.048   0.055  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        3.010   1.751  -0.579  0.00  0.00    +0.008 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.284   1.342   1.382  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        7.343   1.871   0.412  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1        6.079   2.306   2.555  0.00  0.00    +0.012 C 
ENDBRANCH  22  25
ENDBRANCH  18  19
BRANCH  18  28
ATOM     28  C   LIG    1        1.436  -0.258  -2.847  0.00  0.00    +0.351 C 
ATOM     29  O   LIG    1        0.501  -0.470  -3.616  0.00  0.00    -0.246 OA
BRANCH  28  30
ATOM     30  O   LIG    1        2.715  -0.321  -3.300  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1        3.416  -0.165  -2.635  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  18  28
ENDBRANCH  17  18
ENDBRANCH   2  17
BRANCH   3  32
ATOM     32  C   LIG    1       -0.865   1.132   1.007  0.00  0.00    +0.042 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -0.993   0.750   2.487  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1       -0.185  -0.486   2.858  0.00  0.00    +0.004 C 
ENDBRANCH  32  33
ENDBRANCH   3  32
TORSDOF 11