REMARK  Name = BDB032813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.041  -0.571   1.795  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -0.784  -1.185   0.841  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.094  -0.753   0.751  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.158  -1.214  -0.148  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -4.305  -0.512   0.195  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.041   0.511   1.199  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.026  -2.053  -1.017  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.614   0.260   1.554  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -1.812   0.885   2.491  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.480   0.465   2.606  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.497  -0.528  -0.644  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.534   0.655  -1.628  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.589   1.409  -1.848  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.737   0.845  -2.270  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.758   1.636  -2.901  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.965   0.464  -1.794  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.995   0.993  -2.201  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.978  -0.643  -0.765  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.785  -0.534   0.173  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.487  -0.982   1.919  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.225  -0.265   0.927  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        4.141   0.211  -0.049  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1        3.479   0.762  -0.579  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        3.560  -0.518   0.948  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        4.096  -1.275   1.742  0.00  0.00    -0.226 OA
BRANCH  22  31
ATOM     26  C   LIG    1        9.604   0.654  -1.696  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1        8.181   0.499  -1.257  0.00  0.00    -0.015 A 
ATOM     28  C   LIG    1        7.164   1.213  -1.890  0.00  0.00    +0.128 A 
ATOM     29  F   LIG    1        7.459   2.027  -2.914  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        5.836   1.106  -1.482  0.00  0.00    +0.062 A 
ATOM     31  C   LIG    1        5.497   0.275  -0.410  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        6.509  -0.435   0.239  0.00  0.00    +0.024 A 
ATOM     33  C   LIG    1        7.842  -0.322  -0.177  0.00  0.00    +0.008 A 
ENDBRANCH  22  31
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5