REMARK  Name = BDB065316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.104  -1.379   1.337  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.144  -2.756   1.136  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.313  -3.412   1.090  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.033  -3.479   0.967  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.264  -2.821   1.014  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.323  -1.438   1.245  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.129  -0.719   1.410  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  16
ATOM      8  C   LIG    1       -6.054   1.990   0.251  0.00  0.00    +0.034 C 
ATOM      9  C   LIG    1       -4.667   1.361   0.154  0.00  0.00    +0.123 C 
ATOM     10  N   LIG    1       -4.247   1.109  -1.218  0.00  0.00    -0.243 N 
ATOM     11  C   LIG    1       -3.562   0.007  -1.654  0.00  0.00    +0.077 A 
ATOM     12  C   LIG    1       -3.348   0.272  -2.986  0.00  0.00    +0.161 A 
ATOM     13  N   LIG    1       -3.882   1.490  -3.302  0.00  0.00    -0.138 NA
ATOM     14  C   LIG    1       -3.216  -1.125  -0.763  0.00  0.00    +0.164 C 
ATOM     15  N   LIG    1       -3.381  -0.694   0.627  0.00  0.00    -0.290 N 
ATOM     16  C   LIG    1       -2.339  -0.601   1.546  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1       -2.392   0.121   2.541  0.00  0.00    -0.270 OA
ATOM     18  N   LIG    1       -4.420   2.005  -2.202  0.00  0.00    -0.065 NA
ATOM     19  C   LIG    1       -4.624   0.028   0.914  0.00  0.00    +0.135 C 
ENDBRANCH   1  16
BRANCH   6  20
ATOM     20  C   LIG    1        2.655  -0.721   1.283  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.146  -0.200  -0.064  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1        4.437   0.538  -0.102  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        4.874   1.003  -1.341  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        6.080   1.705  -1.455  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        6.853   1.942  -0.320  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.423   1.480   0.923  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.052   0.747  -2.534  0.00  0.00    +0.272 A 
ATOM     28  O   LIG    1        4.399   1.132  -3.644  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1        2.886   0.054  -2.324  0.00  0.00    -0.242 N 
ATOM     30  H   LIG    1        2.302  -0.127  -3.135  0.00  0.00    +0.192 HD
ATOM     31  C   LIG    1        5.218   0.778   1.036  0.00  0.00    +0.010 A 
ATOM     32  N   LIG    1        2.433  -0.415  -1.132  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 3