REMARK  Name = BDB008930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.074   0.861   1.623  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.247   1.213   0.547  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.690   2.252   0.675  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.766   2.948   1.891  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.045   2.589   2.969  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.956   1.543   2.839  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.421  -0.843   2.535  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.071  -0.242   1.526  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.579  -0.500   0.269  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.446   0.201  -0.448  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.681  -1.438   0.077  0.00  0.00    +0.087 C 
ATOM     12  C   LIG    1        3.673  -2.028  -1.354  0.00  0.00    +0.103 C 
ATOM     13  N   LIG    1        4.956  -2.574  -1.818  0.00  0.00    -0.314 NA
ATOM     14  H   LIG    1        4.786  -3.377  -2.423  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        5.823  -2.952  -0.709  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1        6.198  -1.728   0.129  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1        5.027  -0.768   0.366  0.00  0.00    +0.025 C 
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1       -1.573   2.663  -0.483  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.212   1.492  -1.224  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -3.471   0.881  -0.693  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -4.091   1.374   0.585  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -5.178   0.444   1.133  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -6.090  -0.054   0.019  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.292  -0.809  -1.046  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -4.007  -0.119  -1.414  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -3.332  -0.591  -2.649  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -3.786  -1.507  -3.328  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -2.171   0.052  -2.980  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -1.701  -0.250  -3.827  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -1.607   1.087  -2.302  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4