REMARK  Name = BDB009200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.032  -0.431  -0.771  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.286  -0.906  -0.815  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.126  -0.582  -1.889  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.619   0.209  -2.929  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.688   0.696  -2.882  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.514   0.385  -1.801  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        3.207  -1.013   0.121  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        3.470  -1.024  -0.856  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.873  -0.787   0.407  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        1.325  -0.881   1.498  0.00  0.00    -0.270 OA
BRANCH   7  16
ATOM     11  C   LIG    1        7.557  -2.309   3.620  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        6.404  -1.947   2.736  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        6.563  -1.909   1.351  0.00  0.00    +0.128 A 
ATOM     14  F   LIG    1        7.761  -2.175   0.809  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        5.500  -1.599   0.504  0.00  0.00    +0.062 A 
ATOM     16  C   LIG    1        4.236  -1.326   1.034  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        4.066  -1.367   2.420  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        5.139  -1.681   3.265  0.00  0.00    +0.008 A 
ENDBRANCH   7  16
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -2.545  -1.100  -1.932  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.587   0.004  -2.091  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.932   0.875  -0.923  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -3.303   0.654   0.425  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -4.020   1.396   1.557  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.361   2.823   1.147  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.259   2.837  -0.091  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.828   1.853  -1.143  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -5.446   2.009  -2.484  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -6.279   2.879  -2.716  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -5.034   1.121  -3.440  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -5.446   1.211  -4.363  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -4.117   0.132  -3.272  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 4