REMARK  Name = BDB007094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.701  -0.759  -0.877  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.093  -1.660  -1.603  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.451  -1.818  -1.265  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        2.494  -2.636  -1.776  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        3.629  -2.371  -1.047  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        3.323  -1.404  -0.120  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1        1.987  -1.058  -0.219  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        1.206  -0.141   0.504  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -0.142  -0.002   0.157  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1       -3.004  -0.303  -0.242  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1       -2.683  -0.345   0.715  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1       -2.133  -0.624  -1.260  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1       -2.486  -0.822  -2.416  0.00  0.00    -0.270 OA
BRANCH  10  15
ATOM     14  C   LIG    1       -5.073  -1.606  -0.545  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -4.437  -0.215  -0.464  0.00  0.00    +0.100 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.050   0.667   0.612  0.00  0.00    -0.027 A 
ATOM     17  C   LIG    1       -5.332   0.188   1.904  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -5.868   1.036   2.875  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1       -6.116   2.367   2.565  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1       -6.627   3.179   3.499  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -5.833   2.869   1.302  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -5.297   2.023   0.329  0.00  0.00    +0.008 A 
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  C   LIG    1        4.284  -0.868   0.838  0.00  0.00    +0.159 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.208   0.131   0.195  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        6.540  -0.211  -0.068  0.00  0.00    +0.131 A 
ATOM     26  F   LIG    1        6.992  -1.429   0.265  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        7.418   0.684  -0.667  0.00  0.00    +0.077 A 
ATOM     28  C   LIG    1        6.955   1.945  -1.014  0.00  0.00    +0.126 A 
ATOM     29  F   LIG    1        7.790   2.818  -1.592  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        5.637   2.317  -0.771  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        4.761   1.412  -0.167  0.00  0.00    +0.011 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 5