REMARK  Name = BDB047867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.294   0.290  -0.434  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1        3.404   1.671  -0.675  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        2.350   2.535  -0.316  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        2.155   3.939  -0.417  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.918   4.231   0.109  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        0.342   3.051   0.514  0.00  0.00    -0.341 N 
ATOM      7  C   LIG    1        1.205   1.997   0.277  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        1.074   0.622   0.523  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        2.133  -0.216   0.158  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        4.428  -0.636  -0.802  0.00  0.00    +0.078 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.254  -1.128   0.395  0.00  0.00    +0.230 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.073   0.043   0.947  0.00  0.00    +0.334 C 
ATOM     13  O   LIG    1        7.162   0.432   0.557  0.00  0.00    -0.248 OA
BRANCH  12  14
ATOM     14  O   LIG    1        5.473   0.654   1.991  0.00  0.00    -0.479 OA
ATOM     15  H   LIG    1        6.077   1.393   2.216  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH  11  16
ATOM     16  O   LIG    1        6.084  -2.193  -0.091  0.00  0.00    -0.365 OA
BRANCH  16  18
ATOM     17  C   LIG    1        5.823  -4.022   1.482  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1        6.736  -2.939   0.934  0.00  0.00    +0.157 C 
ENDBRANCH  16  18
ENDBRANCH  11  16
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  19
ATOM     19  C   LIG    1       -0.970   2.950   1.146  0.00  0.00    +0.180 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.959   2.257   0.281  0.00  0.00    +0.102 A 
ATOM     21  C   LIG    1       -2.302   2.475  -1.039  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1       -1.856   3.403  -2.093  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1       -3.273   1.575  -1.376  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1       -3.481   0.847  -0.234  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1       -2.728   1.224   0.783  0.00  0.00    -0.212 NA
BRANCH  24  26
ATOM     26  C   LIG    1       -4.484  -0.212  -0.299  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1       -4.753  -0.981   0.845  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1       -5.708  -2.007   0.823  0.00  0.00    -0.049 A 
ATOM     29  C   LIG    1       -5.949  -2.843   2.045  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -6.389  -2.279  -0.369  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1       -6.150  -1.518  -1.520  0.00  0.00    -0.049 A 
ATOM     32  C   LIG    1       -6.865  -1.834  -2.801  0.00  0.00    +0.044 C 
ATOM     33  C   LIG    1       -5.191  -0.496  -1.478  0.00  0.00    +0.016 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 9