REMARK  Name = BDB001972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.961   0.214  -1.284  0.00  0.00    +0.216 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        0.291   0.321  -0.532  0.00  0.00    -0.276 N 
ATOM      3  C   LIG    1        1.369   1.053  -0.998  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        1.407   1.811  -1.947  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1        2.504   0.729  -0.127  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1        2.087  -0.234   0.790  0.00  0.00    -0.018 A 
ATOM      7  C   LIG    1        2.970  -0.727   1.734  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        4.279  -0.231   1.734  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        4.687   0.741   0.799  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.791   1.232  -0.151  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        0.655  -0.582   0.549  0.00  0.00    +0.145 C 
ENDBRANCH   1   2
BRANCH   1  12
ATOM     12  C   LIG    1       -2.159   0.148  -0.346  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1       -2.753  -1.065   0.037  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -3.827  -1.080   0.931  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.313   0.113   1.462  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.726   1.323   1.103  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -2.654   1.341   0.209  0.00  0.00    +0.006 A 
ENDBRANCH   1  12
BRANCH   1  19
ATOM     18  O   LIG    1       -1.861  -1.197  -3.106  0.00  0.00    -0.249 OA
ATOM     19  C   LIG    1       -0.942  -0.898  -2.355  0.00  0.00    +0.330 C 
BRANCH  19  20
ATOM     20  O   LIG    1        0.218  -1.587  -2.443  0.00  0.00    -0.479 OA
ATOM     21  H   LIG    1        0.077  -2.187  -3.205  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 4