REMARK  Name = BDB001047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.655   0.182  -0.441  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.854   1.285  -1.261  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.140   1.449  -2.383  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.788   2.252  -0.910  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.540   2.099   0.259  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.371   0.972   1.081  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.408   0.015   0.727  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.126  -1.783  -1.509  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.304  -0.860  -0.823  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.611  -0.784  -0.336  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1        2.553  -1.827  -0.760  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        3.481  -1.347  -1.882  0.00  0.00    +0.126 C 
ATOM     13  N   LIG    1        4.570  -0.513  -1.357  0.00  0.00    -0.300 N 
ATOM     14  C   LIG    1        5.789  -1.136  -1.098  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        5.966  -2.346  -1.193  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        4.321   0.897  -1.063  0.00  0.00    +0.109 C 
ATOM     17  C   LIG    1        2.872   1.300  -0.783  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        2.194   0.419   0.266  0.00  0.00    +0.109 C 
BRANCH  14  19
ATOM     19  C   LIG    1        6.924  -0.278  -0.657  0.00  0.00    +0.075 C 
ATOM     20  C   LIG    1        8.303  -0.525  -1.234  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1        7.559   0.724  -1.594  0.00  0.00    +0.013 C 
ENDBRANCH  14  19
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1       -3.195   0.803   2.337  0.00  0.00    +0.093 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.697   0.867   2.083  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1       -5.417  -0.321   1.556  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -6.788  -0.190   1.345  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1       -7.543  -1.261   0.849  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -6.918  -2.472   0.560  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.547  -2.611   0.767  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -7.442   1.094   1.646  0.00  0.00    +0.272 A 
ATOM     30  O   LIG    1       -8.646   1.253   1.481  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -6.626   2.092   2.118  0.00  0.00    -0.242 N 
ATOM     32  H   LIG    1       -7.063   2.982   2.338  0.00  0.00    +0.192 HD
ATOM     33  C   LIG    1       -4.796  -1.541   1.266  0.00  0.00    +0.010 A 
ATOM     34  N   LIG    1       -5.289   1.998   2.339  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4