REMARK  Name = BDB009091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.050   1.411   1.276  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.977   1.690   0.370  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.163   2.319   0.790  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.287   2.706   2.131  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.263   2.444   3.038  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.101   1.799   2.612  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.569   0.177  -0.285  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.258   0.771   0.925  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        1.929   0.661   1.673  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        0.820   0.020  -1.241  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        5.543  -1.433  -0.595  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        5.332  -0.243   0.103  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        4.042   0.295   0.209  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        2.954  -0.364  -0.376  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        3.166  -1.548  -1.087  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        4.454  -2.080  -1.185  0.00  0.00    +0.046 A 
BRANCH  11  17
ATOM     17  O   LIG    1        6.739  -2.069  -0.768  0.00  0.00    -0.492 OA
BRANCH  17  19
ATOM     18  C   LIG    1        8.289  -1.742   1.066  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        7.939  -1.406  -0.373  0.00  0.00    +0.225 C 
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -3.272   2.638  -0.187  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.582   1.530  -1.189  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.171   0.238  -0.713  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.516   0.030   0.735  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.426  -1.179   0.971  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.953  -2.384   0.166  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.937  -2.071  -1.331  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.383  -0.708  -1.644  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -4.065  -0.436  -3.069  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -4.260  -1.273  -3.945  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -3.565   0.807  -3.343  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -3.323   1.008  -4.308  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -3.312   1.786  -2.435  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6