REMARK  Name = BDB051792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.126  -0.688   1.114  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        2.121  -0.641   0.135  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.962   0.117   0.348  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.815   0.848   1.523  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1       -0.262   1.620   1.727  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        1.793   0.793   2.511  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        2.940   0.021   2.312  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.041   0.184  -0.730  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1       -1.357  -0.175  -0.467  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1       -2.340  -0.035  -1.543  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1       -3.778   0.093  -1.020  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1       -4.160  -0.997  -0.110  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1       -5.450  -1.453   0.116  0.00  0.00    +0.233 C 
ATOM     14  O   LIG    1       -5.646  -2.471   0.793  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -3.054  -1.721   0.525  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1       -1.820  -0.839   0.759  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1        0.355   0.529  -1.842  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     18  C   LIG    1       -6.675  -0.701  -0.439  0.00  0.00    +0.141 C 
ATOM     19  N   LIG    1       -6.711  -0.688  -1.917  0.00  0.00    -0.306 NA
ATOM     20  H   LIG    1       -7.103  -1.564  -2.261  0.00  0.00    +0.123 HD
ATOM     21  C   LIG    1       -7.561   0.447  -2.265  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -7.111   1.518  -1.287  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1       -6.821   0.753  -0.002  0.00  0.00    +0.029 C 
ENDBRANCH  13  18
ENDBRANCH   3   8
BRANCH   1  24
ATOM     24  C   LIG    1        4.373  -1.512   0.887  0.00  0.00    +0.092 C 
BRANCH  24  34
ATOM     25  C   LIG    1        5.325   0.363  -1.247  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1        6.119   0.250   0.020  0.00  0.00    -0.019 A 
ATOM     27  C   LIG    1        7.238   0.951   0.291  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        7.860   2.008  -0.576  0.00  0.00    +0.050 C 
ATOM     29  C   LIG    1        7.973   0.707   1.566  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1        9.006   1.309   1.844  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1        7.439  -0.230   2.405  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1        7.931  -0.405   3.275  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1        6.301  -0.934   2.192  0.00  0.00    -0.175 NA
ATOM     34  C   LIG    1        5.667  -0.721   1.078  0.00  0.00    +0.069 A 
ENDBRANCH  24  34
ENDBRANCH   1  24
TORSDOF 4