REMARK  Name = BDB009279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.877   0.290   2.577  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.629   1.235   1.578  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.616   1.878   1.505  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.581   1.591   2.484  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.322   0.661   3.493  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.090   0.010   3.544  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1        2.586  -1.302   1.699  0.00  0.00    -0.291 N 
ATOM      8  C   LIG    1        2.191  -0.378   2.682  0.00  0.00    +0.247 C 
ATOM      9  O   LIG    1        2.873  -0.099   3.666  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     10  C   LIG    1        3.589  -3.229   2.897  0.00  0.00    +0.028 C 
ATOM     11  C   LIG    1        3.843  -2.040   1.962  0.00  0.00    +0.071 C 
ATOM     12  C   LIG    1        4.592  -2.501   0.711  0.00  0.00    +0.028 C 
ENDBRANCH   7  11
BRANCH   7  13
ATOM     13  C   LIG    1        1.655  -1.827   0.690  0.00  0.00    +0.143 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.859  -1.313  -0.721  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1        2.652  -0.199  -1.029  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        2.784   0.247  -2.346  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        2.126  -0.417  -3.377  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        1.336  -1.527  -3.092  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        1.199  -1.968  -1.774  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -0.857   2.918   0.434  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.268   2.909  -0.145  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -2.693   1.797  -1.053  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -1.732   0.709  -1.449  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -2.236  -0.144  -2.618  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.710  -0.493  -2.454  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.565   0.771  -2.373  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -3.965   1.829  -1.490  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -4.861   2.946  -1.099  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -6.020   3.014  -1.492  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -4.312   3.894  -0.279  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -4.907   4.666   0.001  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -3.044   3.891   0.209  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6