REMARK  Name = BDB051344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.559   0.370   1.233  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.070  -0.807   0.791  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        1.348  -0.752   0.239  0.00  0.00    +0.066 A 
ATOM      4  N   LIG    1        1.961  -1.937  -0.199  0.00  0.00    -0.319 N 
ATOM      5  H   LIG    1        1.482  -2.824  -0.115  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        3.218  -1.987  -0.759  0.00  0.00    +0.273 A 
ATOM      7  C   LIG    1        3.887  -0.716  -0.870  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1        3.299   0.456  -0.445  0.00  0.00    -0.310 N 
ATOM      9  C   LIG    1        4.168   1.497  -0.677  0.00  0.00    +0.092 A 
ATOM     10  C   LIG    1        5.313   0.987  -1.252  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        5.136  -0.410  -1.375  0.00  0.00    +0.033 A 
ATOM     12  O   LIG    1        3.696  -3.057  -1.124  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1        2.008   0.479   0.125  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.397   1.656   0.558  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        0.114   1.596   1.109  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1  16
ATOM     16  C   LIG    1       -1.950   0.306   1.814  0.00  0.00    +0.143 C 
BRANCH  16  19
ATOM     17  O   LIG    1       -3.337  -2.223   1.253  0.00  0.00    -0.276 OA
ATOM     18  C   LIG    1       -3.553  -1.203   0.620  0.00  0.00    +0.216 C 
ATOM     19  N   LIG    1       -2.941   0.026   0.795  0.00  0.00    -0.297 N 
ATOM     20  C   LIG    1       -3.466   1.038  -0.084  0.00  0.00    +0.108 C 
ATOM     21  C   LIG    1       -4.144   0.232  -1.176  0.00  0.00    +0.028 C 
ATOM     22  C   LIG    1       -4.581  -1.049  -0.473  0.00  0.00    +0.097 C 
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 2