REMARK  Name = BDB010471
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.125   1.275  -0.565  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.804   0.342   0.465  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        0.346  -0.561   0.969  0.00  0.00    +0.095 C 
ATOM      4  N   LIG    1        1.582  -0.105   0.306  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1        1.328   1.301  -0.049  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.978  -0.442  -0.058  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.304  -0.464   0.488  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -4.075  -1.320  -0.304  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -5.433  -1.562  -0.040  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -6.017  -0.917   1.054  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -5.273  -0.060   1.857  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -3.248  -1.804  -1.293  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1       -3.647  -2.726  -2.332  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -3.920   0.174   1.586  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -1.989  -1.289  -1.152  0.00  0.00    +0.090 A 
ENDBRANCH   2   6
BRANCH   4  16
ATOM     16  C   LIG    1        2.785  -0.296   1.131  0.00  0.00    +0.090 C 
ATOM     17  C   LIG    1        4.063   0.059   0.411  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        4.667  -1.073  -0.154  0.00  0.00    -0.040 A 
ATOM     19  C   LIG    1        5.836  -0.973  -0.892  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        6.424   0.286  -1.040  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        5.840   1.419  -0.452  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        3.868  -2.299   0.158  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1        4.658   1.299   0.275  0.00  0.00    +0.128 A 
ATOM     24  F   LIG    1        4.112   2.384   0.840  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        3.076  -1.802   1.377  0.00  0.00    +0.028 C 
ENDBRANCH   4  16
BRANCH   1  27
ATOM     26  C   LIG    1       -1.923   2.537  -1.620  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1       -0.694   2.617  -0.828  0.00  0.00    -0.304 NA
ATOM     28  C   LIG    1       -0.920   3.438   0.358  0.00  0.00    +0.104 C 
ENDBRANCH   1  27
TORSDOF 3