REMARK  Name = BDB009098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.039   1.676   0.499  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.989   1.657  -0.446  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        2.077   2.543  -0.355  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        2.103   3.479   0.686  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.074   3.517   1.624  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.009   2.620   1.531  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.332  -0.286  -0.362  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -1.147   0.803   0.471  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -1.832   0.943   1.202  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -0.530  -0.739  -1.170  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -5.069  -2.362   0.103  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1       -5.031  -0.972   0.219  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -3.821  -0.282   0.069  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1       -2.638  -0.985  -0.193  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -2.679  -2.374  -0.335  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1       -3.889  -3.055  -0.181  0.00  0.00    +0.046 A 
BRANCH  11  17
ATOM     17  O   LIG    1       -6.174  -3.156   0.221  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -7.411  -2.567   0.624  0.00  0.00    +0.229 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -9.541  -1.498  -0.194  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1       -8.198  -2.085  -0.592  0.00  0.00    +0.038 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  11  17
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1        3.180   2.501  -1.387  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.564   2.275  -0.785  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1        5.043   0.879  -0.530  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        4.168  -0.306  -0.829  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1        4.693  -1.619  -0.240  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        6.199  -1.747  -0.430  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        6.934  -0.582   0.235  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1        6.285   0.748  -0.031  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        7.095   1.953   0.276  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1        8.223   1.871   0.752  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1        6.508   3.157  -0.002  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1        7.047   3.992   0.196  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1        5.269   3.339  -0.530  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7