REMARK  Name = BDB051766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.509  -1.488   0.970  0.00  0.00    +0.263 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.523  -1.551  -0.152  0.00  0.00    +0.047 C 
BRANCH   2   3
ATOM      3  C   LIG    1        0.516  -0.342  -1.094  0.00  0.00    +0.047 C 
BRANCH   3   4
ATOM      4  C   LIG    1        0.792   0.996  -0.409  0.00  0.00    +0.263 C 
BRANCH   4   5
ATOM      5  O   LIG    1        1.970   0.938   0.396  0.00  0.00    -0.394 OA
BRANCH   5   8
ATOM      6  C   LIG    1        4.222   0.721   1.756  0.00  0.00    +0.069 C 
ATOM      7  C   LIG    1        4.201   0.946   0.258  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1        3.099   1.044  -0.429  0.00  0.00    -0.089 NA
BRANCH   7   9
ATOM      9  C   LIG    1        5.503   1.061  -0.463  0.00  0.00    -0.001 A 
ATOM     10  C   LIG    1        6.641   1.583   0.165  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        7.847   1.672  -0.536  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        7.907   1.249  -1.859  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1        9.066   1.333  -2.525  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        6.782   0.744  -2.501  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        5.575   0.653  -1.804  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
ENDBRANCH   5   8
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -1.828  -1.455   0.426  0.00  0.00    -0.394 OA
BRANCH  16  17
ATOM     17  N   LIG    1       -2.358  -0.163   0.557  0.00  0.00    -0.089 NA
ATOM     18  C   LIG    1       -3.586  -0.096   0.132  0.00  0.00    +0.088 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.336  -1.202  -0.512  0.00  0.00    -0.001 A 
ATOM     20  C   LIG    1       -3.868  -1.741  -1.714  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -4.594  -2.749  -2.349  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -5.779  -3.218  -1.779  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.242  -2.681  -0.577  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.522  -1.668   0.059  0.00  0.00    +0.010 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -4.305   1.244   0.226  0.00  0.00    +0.070 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.972   1.989   1.514  0.00  0.00    +0.127 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.540   1.277   2.718  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1       -5.612   0.690   2.729  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -3.771   1.393   3.823  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1       -2.921   1.848   3.669  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 13