REMARK  Name = BDB000513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.171   1.968  -1.308  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.935   1.038  -0.374  0.00  0.00    +0.082 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -1.848   1.821   0.562  0.00  0.00    +0.232 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -2.502   0.940   1.475  0.00  0.00    -0.491 OA
BRANCH   4  10
ATOM      5  C   LIG    1       -8.624  -1.480  -0.088  0.00  0.00    +0.070 C 
ATOM      6  C   LIG    1       -7.547  -1.257   0.902  0.00  0.00    +0.088 A 
ATOM      7  C   LIG    1       -6.298  -0.615   0.707  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -5.686  -0.685   1.945  0.00  0.00    +0.174 A 
ATOM      9  C   LIG    1       -4.416  -0.176   2.241  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -3.748   0.455   1.167  0.00  0.00    +0.127 A 
ATOM     11  C   LIG    1       -4.339   0.532  -0.103  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.795  -0.281   3.601  0.00  0.00    +0.051 C 
ATOM     13  O   LIG    1       -6.519  -1.324   2.813  0.00  0.00    -0.354 OA
ATOM     14  C   LIG    1       -5.616   0.004  -0.350  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1       -7.689  -1.684   2.164  0.00  0.00    -0.082 NA
ENDBRANCH   4  10
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1        0.615   1.218  -2.233  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.900   0.894  -1.893  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        2.495   1.083  -0.643  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        3.816   0.693  -0.471  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1        4.637   0.770   0.777  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        6.055   0.597   0.213  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        5.933  -0.265  -1.066  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1        4.543   0.104  -1.511  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1        3.965  -0.097  -2.752  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        2.638   0.303  -2.935  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1        6.052  -1.767  -0.796  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1        7.472  -2.168  -0.508  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1        8.466  -1.465  -0.548  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        7.569  -3.473  -0.184  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        8.527  -3.612  -0.029  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9