REMARK  Name = BDB009065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.617   0.875   0.835  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.431   0.146   0.718  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.208   0.680   1.162  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.184   1.964   1.718  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.360   2.702   1.829  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.569   2.161   1.388  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -3.458  -1.850   0.065  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -4.199  -0.877  -0.007  0.00  0.00    +0.265 C 
ATOM      9  N   LIG    1       -3.874   0.406   0.402  0.00  0.00    -0.280 N 
ATOM     10  H   LIG    1       -4.645   1.045   0.524  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -5.560  -0.992  -0.505  0.00  0.00    +0.102 A 
ATOM     12  N   LIG    1       -6.276   0.002  -1.140  0.00  0.00    -0.357 N 
ATOM     13  H   LIG    1       -5.917   0.919  -1.368  0.00  0.00    +0.165 HD
ATOM     14  C   LIG    1       -7.523  -0.455  -1.478  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1       -7.610  -1.772  -1.094  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -6.372  -2.116  -0.502  0.00  0.00    +0.032 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        1.066  -0.122   1.029  0.00  0.00    +0.092 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.012   0.329  -0.084  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1        3.432  -0.151  -0.035  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        3.881  -1.093   1.048  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1        5.235  -1.748   0.758  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        6.232  -0.732   0.214  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        5.714  -0.088  -1.074  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1        4.258   0.281  -1.002  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        3.744   1.164  -2.078  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1        4.468   1.577  -2.977  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1        2.415   1.480  -2.006  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1        2.037   2.077  -2.733  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1        1.550   1.087  -1.034  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4