REMARK  Name = BDB056511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.779   2.078  -0.261  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.962   1.785  -0.105  0.00  0.00    +0.252 C 
ATOM      3  C   LIG    1        2.452   0.411   0.253  0.00  0.00    +0.059 C 
ATOM      4  C   LIG    1        1.524  -0.534   0.515  0.00  0.00    +0.085 C 
ATOM      5  C   LIG    1        3.916   0.161   0.315  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        4.802   1.230   0.101  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1        6.194   1.046   0.152  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        6.725  -0.212   0.415  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        5.868  -1.286   0.623  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.290   2.585  -0.195  0.00  0.00    +0.251 C 
ATOM     11  O   LIG    1        5.046   3.532  -0.383  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        4.481  -1.103   0.572  0.00  0.00    +0.009 A 
ATOM     13  N   LIG    1        2.930   2.739  -0.261  0.00  0.00    -0.248 N 
ATOM     14  H   LIG    1        2.600   3.665  -0.491  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4  15
ATOM     15  N   LIG    1        0.157  -0.427   0.501  0.00  0.00    -0.318 N 
ATOM     16  H   LIG    1       -0.230   0.504   0.301  0.00  0.00    +0.152 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -0.859  -1.355   0.833  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1       -2.217  -0.938   0.685  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -3.233  -1.825   1.073  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1       -2.937  -3.102   1.554  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.615  -3.515   1.661  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -0.582  -2.647   1.303  0.00  0.00    +0.025 A 
BRANCH  18  23
ATOM     23  N   LIG    1       -2.498   0.334   0.162  0.00  0.00    -0.328 N 
ATOM     24  C   LIG    1       -3.573   1.147   0.736  0.00  0.00    +0.105 C 
ATOM     25  C   LIG    1       -4.867   1.070  -0.075  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -4.622   1.289  -1.564  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -3.543   0.340  -2.076  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -2.251   0.504  -1.278  0.00  0.00    +0.105 C 
ENDBRANCH  18  23
ENDBRANCH  15  17
ENDBRANCH   4  15
TORSDOF 3