REMARK  Name = BDB029379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.646  -0.201  -0.159  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.310   0.181  -0.346  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.252  -0.642   0.074  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -0.572  -1.859   0.699  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -1.901  -2.239   0.906  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.938  -1.410   0.482  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.151  -0.240  -0.132  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1        2.057  -0.219   0.944  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        3.358   0.166   0.693  0.00  0.00    +0.038 A 
ATOM     10  N   LIG    1        4.402   0.259   1.599  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1        4.350   0.057   2.586  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1        5.571   0.683   0.979  0.00  0.00    +0.222 C 
ATOM     13  C   LIG    1        5.256   0.893  -0.507  0.00  0.00    +0.133 C 
ATOM     14  O   LIG    1        6.647   0.853   1.526  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        3.803   0.529  -0.574  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1        2.940   0.520  -1.650  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        1.613   0.134  -1.421  0.00  0.00    +0.009 A 
ENDBRANCH   3   7
BRANCH   1  21
ATOM     18  C   LIG    1       -5.977   0.931  -1.548  0.00  0.00    +0.128 C 
ATOM     19  N   LIG    1       -4.922   0.138  -0.969  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1       -4.951  -0.861  -1.117  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -3.717   0.721  -0.629  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -3.496   1.922  -0.731  0.00  0.00    -0.270 OA
ENDBRANCH   1  21
TORSDOF 2