REMARK  Name = BDB009245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.374  -3.144   0.149  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.239  -2.472   1.215  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.633  -2.481   1.360  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.404  -3.200   0.436  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.796  -3.894  -0.611  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.408  -3.869  -0.757  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.371  -3.140  -1.249  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        1.737  -3.143  -2.035  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.855  -3.056   0.028  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1        2.539  -2.874   1.029  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.775  -2.890  -1.522  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.990  -1.671  -2.431  0.00  0.00    +0.054 C 
BRANCH  12  16
ATOM     13  C   LIG    1        2.437   2.164  -1.129  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        2.376   1.787  -2.469  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        2.874   0.543  -2.873  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        3.431  -0.351  -1.946  0.00  0.00    -0.046 A 
ATOM     17  C   LIG    1        3.499   0.043  -0.605  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        2.997   1.284  -0.202  0.00  0.00    +0.046 A 
BRANCH  13  20
ATOM     19  C   LIG    1        1.525   4.322  -1.527  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        1.991   3.345  -0.604  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH  12  16
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -2.294  -1.734   2.495  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.172  -0.583   2.012  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -2.547   0.728   1.646  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -1.072   0.966   1.817  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -0.687   2.447   1.747  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -1.388   3.135   0.584  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -2.908   3.038   0.729  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -3.373   1.678   1.172  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -4.830   1.413   1.064  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -5.612   2.259   0.642  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -5.245   0.175   1.472  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -6.237  -0.025   1.406  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -4.447  -0.825   1.928  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7