REMARK  Name = BDB046720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.573   1.278  -2.501  0.00  0.00    +0.270 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.429   1.518  -1.513  0.00  0.00    +0.270 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -0.592   0.544  -1.748  0.00  0.00    -0.489 OA
BRANCH   3   9
ATOM      4  C   LIG    1       -6.051   1.959   1.399  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1       -5.453   0.536   1.290  0.00  0.00    -0.010 C 
ATOM      6  C   LIG    1       -4.152   0.524   0.476  0.00  0.00    -0.038 A 
ATOM      7  C   LIG    1       -3.893  -0.442  -0.523  0.00  0.00    -0.035 A 
ATOM      8  C   LIG    1       -2.676  -0.360  -1.238  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -1.710   0.611  -0.964  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1       -1.952   1.531   0.044  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -4.897  -1.545  -0.883  0.00  0.00    -0.009 C 
ATOM     12  C   LIG    1       -4.215  -2.929  -1.005  0.00  0.00    +0.016 C 
ATOM     13  C   LIG    1       -5.544  -1.202  -2.243  0.00  0.00    +0.016 C 
ATOM     14  C   LIG    1       -5.992  -1.692   0.197  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -3.156   1.485   0.752  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -6.541  -0.346   0.639  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -5.148   0.028   2.717  0.00  0.00    +0.016 C 
ENDBRANCH   3   9
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1        2.293   0.080  -2.195  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.303   0.128  -1.277  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        3.950  -1.092  -1.069  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        5.002  -1.201  -0.157  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        5.426  -0.081   0.565  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1        4.775   1.141   0.359  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        3.720   1.246  -0.556  0.00  0.00    +0.046 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.572  -0.184   1.542  0.00  0.00    +0.061 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.863   0.463   1.035  0.00  0.00    +0.210 C 
BRANCH  26  27
ATOM     27  C   LIG    1        8.837   0.540   2.181  0.00  0.00    +0.319 C 
ATOM     28  O   LIG    1        8.912   1.516   2.917  0.00  0.00    -0.250 OA
BRANCH  27  29
ATOM     29  O   LIG    1        9.578  -0.567   2.408  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1        9.434  -1.288   1.753  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
BRANCH  26  31
ATOM     31  C   LIG    1        8.400  -0.243  -0.176  0.00  0.00    +0.319 C 
ATOM     32  O   LIG    1        8.429   0.185  -1.316  0.00  0.00    -0.250 OA
BRANCH  31  33
ATOM     33  O   LIG    1        8.877  -1.483   0.088  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1        9.131  -1.811  -0.808  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  26  31
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11