REMARK  Name = BDB009007
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.863  -0.602   0.099  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.619  -1.093  -0.304  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.142  -1.917   0.543  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.372  -2.264   1.798  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.615  -1.785   2.205  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.356  -0.958   1.359  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.385   0.772  -1.938  0.00  0.00    +0.238 C 
ATOM      8  N   LIG    1       -2.668   0.238  -0.692  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -3.564   0.515  -0.299  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -1.377   0.572  -2.608  0.00  0.00    -0.273 OA
BRANCH   7  15
ATOM     11  O   LIG    1       -6.649   2.703  -1.321  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1       -5.749   2.130  -1.907  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -4.433   2.116  -1.494  0.00  0.00    -0.304 N 
ATOM     14  H   LIG    1       -4.146   2.787  -0.790  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1       -3.560   1.578  -2.515  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1       -4.496   0.694  -3.326  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1       -5.854   1.378  -3.207  0.00  0.00    +0.098 C 
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1        1.484  -2.444   0.091  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.629  -2.052   1.021  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1        3.179  -0.659   0.977  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1        2.653   0.353  -0.002  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1        3.548   1.590  -0.136  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        4.016   2.078   1.229  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        4.798   0.987   1.962  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1        4.161  -0.371   1.849  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        4.668  -1.416   2.773  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1        5.574  -1.192   3.570  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1        4.070  -2.643   2.676  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1        4.402  -3.371   3.298  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1        3.062  -2.976   1.828  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4