REMARK  Name = BDB009055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.724   0.833  -0.918  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.895   1.491  -0.515  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        2.471   1.252   0.744  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        1.845   0.349   1.610  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.698  -0.331   1.206  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.147  -0.099  -0.057  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -0.932   0.817  -2.849  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        0.246   1.123  -2.209  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        0.907   1.553  -2.846  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -0.984   0.854  -4.078  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -4.589  -0.003  -0.783  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1       -4.191  -0.795  -1.862  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -2.990  -0.522  -2.527  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1       -2.176   0.533  -2.102  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -2.586   1.346  -1.042  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1       -3.784   1.067  -0.381  0.00  0.00    +0.046 A 
BRANCH  11  17
ATOM     17  O   LIG    1       -5.731  -0.162  -0.048  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -6.623  -1.203  -0.444  0.00  0.00    +0.229 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -7.838  -1.193   0.484  0.00  0.00    +0.041 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -9.869   0.076   1.270  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1       -8.647   0.101   0.365  0.00  0.00    -0.000 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  11  17
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  C   LIG    1        3.717   1.995   1.167  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.811   1.090   1.725  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1        5.589   0.207   0.799  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        5.344   0.229  -0.684  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1        6.447  -0.464  -1.491  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        6.850  -1.784  -0.846  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        7.355  -1.565   0.582  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        6.512  -0.593   1.362  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        6.741  -0.551   2.828  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1        7.585  -1.256   3.372  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        5.958   0.324   3.531  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1        6.099   0.368   4.534  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1        5.000   1.135   3.011  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 8