REMARK  Name = BDB009216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.242   0.981   0.100  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.351   0.976  -0.757  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        2.356   1.946  -0.635  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        2.218   2.937   0.347  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.123   2.937   1.214  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.138   1.956   1.099  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.085   0.316   0.161  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1       -2.238   1.305   0.308  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1       -0.782  -0.089  -0.062  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -0.402  -1.202  -0.404  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -5.671  -1.928   0.077  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1       -5.681  -0.550   0.275  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.476   0.167   0.297  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -3.248  -0.481   0.118  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1       -3.243  -1.859  -0.082  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1       -4.447  -2.574  -0.105  0.00  0.00    +0.047 A 
BRANCH  11  17
ATOM     17  O   LIG    1       -6.760  -2.750   0.026  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -8.046  -2.215   0.340  0.00  0.00    +0.229 C 
BRANCH  18  20
ATOM     19  C   LIG    1      -10.113  -1.140  -0.620  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1       -8.722  -1.671  -0.916  0.00  0.00    +0.038 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  11  17
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1        3.541   1.937  -1.574  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.888   1.982  -0.858  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1        5.505   0.713  -0.357  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        4.803  -0.606  -0.523  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1        5.425  -1.737   0.302  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        6.946  -1.699   0.233  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        7.483  -0.363   0.750  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1        6.707   0.818   0.236  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        7.341   2.150   0.402  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1        8.428   2.285   0.956  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1        6.641   3.213  -0.098  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1        7.061   4.131   0.000  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1        5.437   3.155  -0.727  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7