REMARK  Name = BDB051778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.552   0.906   0.106  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        2.619  -0.017  -0.389  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        1.598  -0.497   0.441  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.517  -0.081   1.765  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1        0.560  -0.551   2.577  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        2.422   0.851   2.262  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        3.432   1.349   1.433  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.681  -1.517  -0.086  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1       -0.657  -1.198  -0.284  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1       -1.250   0.131  -0.100  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1       -2.771   0.075   0.125  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1       -3.486  -0.644  -0.934  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1       -4.799  -0.451  -1.360  0.00  0.00    +0.235 C 
ATOM     14  O   LIG    1       -5.153  -0.997  -2.417  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -2.687  -1.635  -1.675  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1       -1.537  -2.224  -0.850  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1        1.172  -2.607  -0.372  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     18  C   LIG    1       -5.822   0.478  -0.562  0.00  0.00    +0.093 C 
ATOM     19  C   LIG    1       -5.526   1.926  -1.010  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -5.693   0.348   0.969  0.00  0.00    +0.037 C 
BRANCH  18  21
ATOM     21  N   LIG    1       -7.216   0.085  -0.989  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1       -8.276   1.049  -0.709  0.00  0.00    +0.105 C 
ATOM     23  C   LIG    1       -7.619  -1.252  -0.541  0.00  0.00    +0.105 C 
ENDBRANCH  18  21
ENDBRANCH  13  18
ENDBRANCH   3   8
BRANCH   1  24
ATOM     24  C   LIG    1        4.653   1.430  -0.789  0.00  0.00    +0.092 C 
BRANCH  24  34
ATOM     25  C   LIG    1        6.032  -1.229  -0.776  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1        6.720  -0.057  -0.144  0.00  0.00    -0.019 A 
ATOM     27  C   LIG    1        7.925  -0.107   0.460  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        8.767  -1.332   0.669  0.00  0.00    +0.050 C 
ATOM     29  C   LIG    1        8.532   1.143   1.003  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1        9.634   1.147   1.543  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1        7.797   2.286   0.860  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1        8.201   3.142   1.225  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1        6.571   2.380   0.292  0.00  0.00    -0.175 NA
ATOM     34  C   LIG    1        6.049   1.289  -0.183  0.00  0.00    +0.069 A 
ENDBRANCH  24  34
ENDBRANCH   1  24
TORSDOF 5