REMARK  Name = BDB002192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.819  -1.616   1.385  0.00  0.00    +0.023 C 
ATOM      2  C   LIG    1        2.013  -1.158   0.986  0.00  0.00    +0.070 C 
ATOM      3  C   LIG    1        2.376  -0.034   0.078  0.00  0.00    +0.198 C 
ATOM      4  O   LIG    1        1.664   0.762  -0.494  0.00  0.00    -0.287 OA
ATOM      5  C   LIG    1        3.843  -0.050   0.006  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        4.358  -1.076   0.794  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        5.720  -1.308   0.892  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        6.575  -0.465   0.172  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        6.051   0.588  -0.615  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        4.668   0.795  -0.715  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        3.270  -1.817   1.440  0.00  0.00    +0.198 C 
ATOM     12  O   LIG    1        3.400  -2.764   2.186  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1       -3.150  -0.186   0.382  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -2.771  -1.533   0.260  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -1.479  -1.985   0.575  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -0.502  -1.097   1.019  0.00  0.00    -0.024 A 
ATOM     17  C   LIG    1       -0.852   0.241   1.168  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1       -2.147   0.681   0.848  0.00  0.00    +0.024 A 
BRANCH  13  19
ATOM     19  N   LIG    1       -4.432   0.257   0.068  0.00  0.00    -0.330 N 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.667   2.621  -0.619  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -4.905   1.588   0.472  0.00  0.00    +0.102 C 
ENDBRANCH  19  21
BRANCH  19  22
ATOM     22  C   LIG    1       -5.378  -0.572  -0.693  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1       -4.985  -0.681  -2.161  0.00  0.00    +0.024 C 
ENDBRANCH  19  22
ENDBRANCH  13  19
ENDBRANCH   1  16
BRANCH   9  24
ATOM     24  C   LIG    1        6.948   1.470  -1.395  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1        6.696   1.826  -2.531  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        8.040   1.859  -0.707  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        8.037   1.641   0.243  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH   9  24
TORSDOF 6