REMARK  Name = BDB001046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.313  -1.226  -0.733  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.143  -2.603  -0.849  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.091  -3.373  -1.402  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.024  -3.210  -0.394  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.038  -2.432   0.168  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.894  -1.040   0.272  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.715  -0.439  -0.197  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1        7.279   1.339  -0.469  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1        6.496   0.709   0.655  0.00  0.00    +0.213 C 
ATOM     10  N   LIG    1        5.109   0.681   0.536  0.00  0.00    -0.300 N 
ATOM     11  C   LIG    1        4.390   0.940  -0.719  0.00  0.00    +0.126 C 
ATOM     12  C   LIG    1        3.958  -0.361  -1.414  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        2.788  -0.961  -0.765  0.00  0.00    -0.296 N 
ATOM     14  C   LIG    1        1.531  -0.559  -1.230  0.00  0.00    +0.249 C 
ATOM     15  O   LIG    1        1.383   0.370  -2.023  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        2.987  -1.811   0.413  0.00  0.00    +0.109 C 
ATOM     17  C   LIG    1        4.199  -1.489   1.290  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        4.352   0.002   1.588  0.00  0.00    +0.109 C 
ATOM     19  O   LIG    1        7.088   0.247   1.631  0.00  0.00    -0.276 OA
ENDBRANCH   1  14
BRANCH   6  20
ATOM     20  C   LIG    1       -3.010  -0.193   0.842  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.107   0.192  -0.146  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1       -5.194   1.092   0.326  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -6.183   1.437  -0.592  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -7.237   2.282  -0.222  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1       -7.299   2.782   1.078  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -6.314   2.438   2.003  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.114   0.900  -1.960  0.00  0.00    +0.272 A 
ATOM     28  O   LIG    1       -6.962   1.179  -2.800  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -5.052   0.072  -2.228  0.00  0.00    -0.242 N 
ATOM     30  H   LIG    1       -4.979  -0.304  -3.168  0.00  0.00    +0.192 HD
ATOM     31  C   LIG    1       -5.262   1.595   1.631  0.00  0.00    +0.010 A 
ATOM     32  N   LIG    1       -4.070  -0.280  -1.357  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 3