REMARK  Name = BDB009260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.518   2.458  -1.233  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.567   1.886  -1.912  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.886   2.179  -1.533  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.101   3.081  -0.482  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.024   3.669   0.183  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.286   3.361  -0.191  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.868   2.131  -0.688  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        2.579   2.177   0.280  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.894   2.088  -1.663  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1        2.102   1.717  -2.812  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        4.205   1.625  -0.940  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.287   0.093  -0.932  0.00  0.00    +0.054 C 
BRANCH  12  16
ATOM     13  C   LIG    1        0.737  -1.873   2.039  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        2.162  -1.456   1.834  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        2.578  -0.897   0.621  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        3.918  -0.518   0.407  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1        4.858  -0.707   1.440  0.00  0.00    -0.047 A 
ATOM     18  C   LIG    1        6.312  -0.355   1.275  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        4.437  -1.290   2.647  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        3.106  -1.660   2.842  0.00  0.00    +0.003 A 
ENDBRANCH  12  16
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -3.050   1.566  -2.275  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.030   0.831  -1.364  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -3.673  -0.518  -0.820  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -2.376  -1.185  -1.185  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -2.334  -2.674  -0.822  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -2.912  -2.921   0.566  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -4.360  -2.433   0.653  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -4.571  -1.095  -0.002  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -5.850  -0.406   0.307  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -6.694  -0.909   1.041  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -6.028   0.818  -0.279  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -6.895   1.305  -0.079  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -5.145   1.448  -1.099  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6