REMARK  Name = BDB060783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.299  -0.092   0.297  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -0.359  -1.489   0.399  0.00  0.00    +0.135 C 
ATOM      3  C   LIG    1       -1.855  -1.635   0.245  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -2.406  -2.132   1.431  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.757  -2.367   1.591  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -4.588  -2.098   0.503  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -4.045  -1.617  -0.697  0.00  0.00    +0.124 A 
ATOM      8  F   LIG    1       -4.863  -1.372  -1.729  0.00  0.00    -0.205 F 
ATOM      9  N   LIG    1       -1.414  -2.350   2.371  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1       -1.549  -2.710   3.304  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -2.678  -1.385  -0.844  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -0.162  -2.011   1.877  0.00  0.00    +0.243 C 
ATOM     13  O   LIG    1        0.890  -2.100   2.492  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        0.373  -2.394  -0.522  0.00  0.00    -0.288 NA
ATOM     15  H   LIG    1       -0.047  -2.341  -1.453  0.00  0.00    +0.124 HD
ATOM     16  C   LIG    1        1.763  -1.837  -0.603  0.00  0.00    +0.168 C 
ATOM     17  C   LIG    1        1.521  -0.316  -0.633  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1       -2.957   3.814  -0.536  0.00  0.00    +0.071 C 
ATOM     19  C   LIG    1       -1.993   2.689  -0.593  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -1.430   1.927   0.461  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -0.605   1.013  -0.164  0.00  0.00    +0.174 A 
ATOM     22  O   LIG    1       -0.691   1.214  -1.510  0.00  0.00    -0.357 OA
ATOM     23  N   LIG    1       -1.549   2.256  -1.780  0.00  0.00    -0.081 NA
BRANCH  20  24
ATOM     24  N   LIG    1       -1.669   2.046   1.863  0.00  0.00    +0.062 N 
ATOM     25  O   LIG    1       -1.293   1.112   2.579  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1       -2.249   3.065   2.252  0.00  0.00    -0.126 OA
ENDBRANCH  20  24
ENDBRANCH   1  21
BRANCH  17  27
ATOM     27  C   LIG    1        2.707   0.539  -0.230  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        3.117   1.588  -1.068  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.196   2.400  -0.717  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.877   2.179   0.478  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.478   1.147   1.323  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        3.399   0.332   0.974  0.00  0.00    +0.004 A 
ENDBRANCH  17  27
BRANCH  16  33
ATOM     33  C   LIG    1        2.591  -2.305  -1.821  0.00  0.00    +0.405 C 
ATOM     34  F   LIG    1        3.807  -1.726  -1.867  0.00  0.00    -0.169 F 
ATOM     35  F   LIG    1        1.946  -2.006  -2.975  0.00  0.00    -0.169 F 
ATOM     36  F   LIG    1        2.779  -3.644  -1.800  0.00  0.00    -0.169 F 
ENDBRANCH  16  33
TORSDOF 4