REMARK  Name = BDB029538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.317   2.330   0.209  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        5.552   1.401   0.013  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1        5.905   0.176  -0.444  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1        6.869  -0.097  -0.555  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1        4.892  -0.721  -0.364  0.00  0.00    +0.226 C 
ATOM      6  O   LIG    1        5.022  -1.931  -0.441  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        3.591   0.033  -0.180  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1        2.878   0.124  -1.538  0.00  0.00    +0.035 C 
ATOM      9  C   LIG    1        1.493   0.755  -1.427  0.00  0.00    +0.109 C 
ATOM     10  N   LIG    1        0.671   0.147  -0.379  0.00  0.00    -0.301 N 
ATOM     11  C   LIG    1       -0.721   0.280  -0.539  0.00  0.00    +0.223 C 
ATOM     12  O   LIG    1       -1.190   0.772  -1.569  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        1.310  -0.023   0.926  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        2.681  -0.683   0.821  0.00  0.00    +0.035 C 
ATOM     15  C   LIG    1        4.080   1.407   0.316  0.00  0.00    +0.112 C 
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1       -1.636  -0.254   0.583  0.00  0.00    +0.105 C 
ATOM     17  C   LIG    1       -3.042   0.334   0.531  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1       -4.154  -0.434   0.138  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1       -5.428   0.156   0.120  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -5.600   1.495   0.468  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.501   2.260   0.844  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.028  -1.894  -0.214  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1       -2.595  -2.322  -0.511  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -3.231   1.685   0.877  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -1.646  -1.793   0.559  0.00  0.00    +0.018 C 
ENDBRANCH  11  16
TORSDOF 1