REMARK  Name = BDB040713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.100  -0.737   3.088  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1       -1.008  -1.688   2.288  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -1.977  -0.621   2.282  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1       -0.960   0.383   2.472  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.116  -0.519   1.457  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -3.686   0.725   1.166  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -4.823   0.815   0.364  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -5.341   2.028   0.120  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -5.436  -0.318  -0.172  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.869  -1.554   0.134  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1       -5.430  -2.678  -0.335  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.733  -1.662   0.936  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -6.669  -0.225  -1.042  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1       -6.456   0.666  -2.264  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -5.389   0.743  -2.870  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -7.561   1.341  -2.728  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -7.413   1.907  -3.553  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -8.861   1.223  -2.308  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -9.776   1.777  -2.911  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -9.106   0.317  -1.128  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -7.881   0.246  -0.230  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  23
ATOM     22  C   LIG    1        1.906  -0.651   1.550  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1        1.344  -0.741   2.788  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1        2.023  -0.811   3.534  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1        1.308  -0.556   0.491  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1        3.254  -0.682   1.683  0.00  0.00    -0.445 OA
BRANCH  26  32
ATOM     27  C   LIG    1        9.567   0.991  -1.055  0.00  0.00    +0.133 C 
ATOM     28  N   LIG    1        8.190   0.596  -1.288  0.00  0.00    -0.292 N 
ATOM     29  C   LIG    1        7.554  -0.104  -0.275  0.00  0.00    +0.304 C 
ATOM     30  N   LIG    1        6.179  -0.176  -0.332  0.00  0.00    -0.282 N 
ATOM     31  C   LIG    1        5.461  -0.919   0.692  0.00  0.00    +0.154 C 
ATOM     32  C   LIG    1        3.987  -0.596   0.458  0.00  0.00    +0.197 C 
ATOM     33  C   LIG    1        4.067   0.840  -0.061  0.00  0.00    +0.065 C 
ATOM     34  C   LIG    1        5.302   0.813  -0.949  0.00  0.00    +0.113 C 
ATOM     35  O   LIG    1        8.180  -0.609   0.658  0.00  0.00    -0.252 OA
ATOM     36  C   LIG    1        7.818   0.425  -2.683  0.00  0.00    +0.133 C 
ENDBRANCH  26  32
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 5