REMARK  Name = BDB061787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.809   0.673   0.724  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.648   1.586   1.762  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.371   1.479   2.625  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.542   2.641   1.912  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.619   2.772   1.030  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.822   1.836   0.001  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.897   0.789  -0.150  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  12
ATOM      8  N   LIG    1        4.369   0.073  -0.101  0.00  0.00    -0.296 NA
ATOM      9  C   LIG    1        3.815  -1.151   0.543  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1        2.322  -1.414   0.206  0.00  0.00    +0.127 C 
ATOM     11  N   LIG    1        1.470  -0.238   0.390  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        0.107  -0.470   0.573  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1       -0.393  -1.593   0.607  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        1.999   1.002  -0.188  0.00  0.00    +0.123 C 
ATOM     15  C   LIG    1        3.481   1.228   0.160  0.00  0.00    +0.103 C 
BRANCH   9  16
ATOM     16  C   LIG    1        4.005  -1.119   2.082  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1        5.458  -0.957   2.507  0.00  0.00    +0.005 C 
ENDBRANCH   9  16
BRANCH   8  18
ATOM     18  C   LIG    1        4.604  -0.091  -1.546  0.00  0.00    +0.084 C 
BRANCH  18  20
ATOM     19  C   LIG    1        7.101  -0.562  -1.288  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        5.781  -1.016  -1.894  0.00  0.00    +0.012 C 
ENDBRANCH  18  20
ENDBRANCH   8  18
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  C   LIG    1       -3.990   2.006  -0.953  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.656   0.756  -1.321  0.00  0.00    -0.289 N 
ATOM     23  C   LIG    1       -5.544   0.096  -0.416  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -6.166  -1.096  -0.806  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -7.044  -1.779   0.047  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -7.312  -1.272   1.314  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.704  -0.089   1.722  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.892  -1.642  -2.144  0.00  0.00    +0.262 A 
ATOM     29  O   LIG    1       -6.424  -2.669  -2.549  0.00  0.00    -0.267 OA
ATOM     30  N   LIG    1       -5.015  -0.930  -2.912  0.00  0.00    -0.274 N 
ATOM     31  H   LIG    1       -4.812  -1.300  -3.828  0.00  0.00    +0.173 HD
ATOM     32  C   LIG    1       -5.829   0.590   0.866  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1       -4.384   0.233  -2.577  0.00  0.00    +0.330 A 
ATOM     34  O   LIG    1       -3.614   0.752  -3.385  0.00  0.00    -0.246 OA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 6