REMARK  Name = BDB029392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.100  -0.769   0.503  0.00  0.00    +0.123 A 
ATOM      2  C   LIG    1       -1.306  -0.913   1.201  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -2.429  -0.314   0.675  0.00  0.00    +0.041 A 
ATOM      4  N   LIG    1       -3.716  -0.324   1.188  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1       -4.009  -0.782   2.038  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -4.587   0.396   0.379  0.00  0.00    +0.222 C 
ATOM      7  C   LIG    1       -3.775   0.942  -0.802  0.00  0.00    +0.133 C 
ATOM      8  O   LIG    1       -5.779   0.557   0.579  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.401   0.421  -0.506  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -1.220   0.579  -1.205  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -0.062  -0.022  -0.691  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     12  O   LIG    1        0.964  -1.396   1.095  0.00  0.00    -0.481 OA
BRANCH  12  13
ATOM     13  C   LIG    1        2.206  -1.416   0.408  0.00  0.00    +0.349 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.047  -0.150   0.534  0.00  0.00    +0.345 C 
ATOM     15  O   LIG    1        2.755   0.849   1.176  0.00  0.00    -0.247 OA
BRANCH  14  17
ATOM     16  C   LIG    1        5.067   0.833  -0.136  0.00  0.00    +0.280 C 
ATOM     17  O   LIG    1        4.197  -0.299  -0.191  0.00  0.00    -0.466 OA
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 4