REMARK  Name = BDB047170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.490   1.174   1.370  0.00  0.00    +0.144 A 
ATOM      2  C   LIG    1       -2.252   0.191   0.396  0.00  0.00    +0.094 A 
ATOM      3  C   LIG    1       -0.979  -0.401   0.301  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        0.049  -0.049   1.188  0.00  0.00    -0.039 A 
ATOM      5  C   LIG    1       -0.199   0.929   2.156  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -1.452   1.542   2.238  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -3.275  -0.239  -0.505  0.00  0.00    -0.248 N 
ATOM      8  C   LIG    1       -4.606  -0.520  -0.184  0.00  0.00    +0.200 A 
ATOM      9  C   LIG    1       -5.274  -0.857  -1.343  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1       -4.335  -0.867  -2.393  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -3.109  -0.521  -1.865  0.00  0.00    +0.200 A 
BRANCH   8  12
ATOM     12  O   LIG    1       -5.058  -0.509   1.069  0.00  0.00    -0.493 OA
ATOM     13  H   LIG    1       -6.008  -0.711   1.036  0.00  0.00    +0.294 HD
ENDBRANCH   8  12
BRANCH  11  14
ATOM     14  O   LIG    1       -1.937  -0.386  -2.484  0.00  0.00    -0.493 OA
ATOM     15  H   LIG    1       -2.088  -0.527  -3.435  0.00  0.00    +0.294 HD
ENDBRANCH  11  14
ENDBRANCH   2   7
BRANCH   1  17
ATOM     16  C   LIG    1       -4.202   2.179   2.632  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -3.672   1.870   1.347  0.00  0.00    -0.493 OA
ENDBRANCH   1  17
BRANCH   4  18
ATOM     18  C   LIG    1        1.407  -0.703   1.084  0.00  0.00    +0.093 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.439   0.052   0.250  0.00  0.00    +0.074 A 
ATOM     20  C   LIG    1        3.712  -0.639  -0.089  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        4.633   0.058  -0.869  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        5.851  -0.530  -1.232  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        6.151  -1.823  -0.806  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.239  -2.523  -0.018  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.317   1.429  -1.299  0.00  0.00    +0.272 A 
ATOM     26  O   LIG    1        5.094   2.074  -1.995  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1        3.117   1.933  -0.867  0.00  0.00    -0.242 N 
ATOM     28  H   LIG    1        2.872   2.875  -1.156  0.00  0.00    +0.192 HD
ATOM     29  C   LIG    1        4.022  -1.935   0.344  0.00  0.00    +0.010 A 
ATOM     30  N   LIG    1        2.194   1.275  -0.119  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6