REMARK  Name = BDB056176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.061  -0.183   3.430  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        4.561  -0.137   2.309  0.00  0.00    +0.255 C 
ATOM      3  N   LIG    1        3.235  -0.392   2.110  0.00  0.00    -0.280 N 
ATOM      4  H   LIG    1        2.679  -0.606   2.928  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1        2.667  -0.370   0.838  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1        3.464  -0.150  -0.285  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1        2.887  -0.152  -1.554  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        1.514  -0.364  -1.702  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        0.706  -0.589  -0.578  0.00  0.00    -0.028 A 
ATOM     10  O   LIG    1        4.816   0.040  -0.237  0.00  0.00    -0.481 OA
ATOM     11  C   LIG    1        1.296  -0.591   0.697  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        5.349   0.258   1.060  0.00  0.00    +0.325 C 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -0.781  -0.821  -0.726  0.00  0.00    +0.137 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -1.499   0.294  -0.125  0.00  0.00    -0.340 N 
ATOM     15  H   LIG    1       -1.069   1.190  -0.343  0.00  0.00    +0.146 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -2.892   0.355  -0.235  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -3.528   1.580   0.019  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -4.920   1.700  -0.010  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.708   0.583  -0.267  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.101  -0.651  -0.479  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.706  -0.764  -0.449  0.00  0.00    +0.023 A 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 3