REMARK  Name = BDB047160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.661   0.270   0.449  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.702   0.774  -0.443  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.444   1.446   0.018  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.598   1.644   1.395  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.349   1.145   2.287  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.470   0.457   1.817  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.824  -1.001   0.561  0.00  0.00    +0.220 C 
ATOM      8  N   LIG    1        2.773  -0.393  -0.111  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        2.796  -0.440  -1.121  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        3.946  -1.094   1.777  0.00  0.00    -0.275 OA
BRANCH   7  12
ATOM     11  C   LIG    1        5.864  -2.471   0.338  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1        4.869  -1.578  -0.401  0.00  0.00    +0.069 C 
ATOM     13  C   LIG    1        5.607  -0.455  -1.128  0.00  0.00    +0.017 C 
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   3  14
ATOM     14  C   LIG    1       -1.449   1.993  -0.971  0.00  0.00    +0.093 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.902   1.792  -0.559  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -3.524   0.446  -0.648  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1       -4.856   0.333  -0.253  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1       -5.516  -0.901  -0.306  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1       -4.836  -2.030  -0.759  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.504  -1.925  -1.156  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -5.568   1.529   0.225  0.00  0.00    +0.272 A 
ATOM     22  O   LIG    1       -6.740   1.477   0.580  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1       -4.844   2.696   0.243  0.00  0.00    -0.242 N 
ATOM     24  H   LIG    1       -5.319   3.532   0.570  0.00  0.00    +0.192 HD
ATOM     25  C   LIG    1       -2.847  -0.692  -1.103  0.00  0.00    +0.010 A 
ATOM     26  N   LIG    1       -3.546   2.841  -0.135  0.00  0.00    -0.175 NA
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 4