REMARK  Name = BDB001076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.842  -0.219  -0.266  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.849  -0.454  -1.638  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.191  -0.098  -2.406  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.940  -1.074  -2.239  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.046  -1.437  -1.467  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.076  -1.166  -0.089  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.958  -0.563   0.507  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.002   1.451   1.089  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.281   0.480   0.388  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.585   0.028   0.200  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        2.656   0.769   0.867  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        3.996   0.645   0.129  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        4.341  -0.749  -0.189  0.00  0.00    -0.298 N 
ATOM     14  C   LIG    1        5.617  -1.282  -0.270  0.00  0.00    +0.221 C 
ATOM     15  O   LIG    1        5.809  -2.378  -0.810  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        3.257  -1.485  -0.858  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        1.922  -1.367  -0.112  0.00  0.00    +0.127 C 
BRANCH  14  18
ATOM     18  C   LIG    1        6.831  -0.567   0.311  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        6.705  -0.212   1.782  0.00  0.00    +0.172 C 
ATOM     20  O   LIG    1        6.952   1.199   1.894  0.00  0.00    -0.379 OA
ATOM     21  C   LIG    1        7.721   1.585   0.751  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1        7.232   0.716  -0.386  0.00  0.00    +0.043 C 
ENDBRANCH  14  18
ENDBRANCH   1   9
BRANCH   6  23
ATOM     23  C   LIG    1       -4.277  -1.541   0.751  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.597  -1.037   0.179  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1       -5.981   0.390   0.333  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -7.194   0.785  -0.227  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -7.629   2.113  -0.130  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -6.842   3.052   0.533  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.627   2.664   1.096  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -8.022  -0.211  -0.926  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1       -9.097   0.090  -1.433  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -7.518  -1.488  -0.974  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1       -8.078  -2.189  -1.450  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1       -5.195   1.338   1.000  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1       -6.339  -1.906  -0.444  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4