REMARK  Name = BDB049216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.127  -1.376  -0.314  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1        0.349  -2.624  -0.359  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -1.145  -2.231  -0.218  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1       -1.130  -0.712  -0.506  0.00  0.00    +0.053 C 
ATOM      5  C   LIG    1        0.206  -0.321   0.138  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.285   0.097   0.022  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -2.534   1.482  -0.269  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.697   1.859   0.408  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -4.215   3.163   0.337  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -3.532   4.100  -0.444  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -2.375   3.750  -1.132  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -4.147   0.743   1.077  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1       -5.342   0.689   1.889  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -1.869   2.448  -1.053  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -3.309  -0.315   0.855  0.00  0.00    +0.090 A 
ENDBRANCH   4   6
BRANCH   3  16
ATOM     16  N   LIG    1       -2.143  -3.063  -0.925  0.00  0.00    -0.304 NA
ATOM     17  C   LIG    1       -2.120  -2.917  -2.378  0.00  0.00    +0.104 C 
ATOM     18  C   LIG    1       -2.046  -4.471  -0.547  0.00  0.00    +0.104 C 
ENDBRANCH   3  16
BRANCH   1  19
ATOM     19  C   LIG    1        2.332  -1.494   0.505  0.00  0.00    +0.123 C 
BRANCH  19  24
ATOM     20  N   LIG    1        4.288   1.590   0.693  0.00  0.00    -0.271 N 
ATOM     21  N   LIG    1        4.571   1.288  -0.585  0.00  0.00    -0.176 NA
ATOM     22  C   LIG    1        3.894   0.154  -0.807  0.00  0.00    +0.064 A 
ATOM     23  C   LIG    1        3.934  -0.489  -2.144  0.00  0.00    +0.068 C 
ATOM     24  C   LIG    1        3.185  -0.279   0.349  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        3.472   0.682   1.298  0.00  0.00    +0.113 A 
BRANCH  20  27
ATOM     26  C   LIG    1        6.252   2.579   1.802  0.00  0.00    +0.029 C 
ATOM     27  C   LIG    1        4.840   2.791   1.287  0.00  0.00    +0.140 C 
ENDBRANCH  20  27
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 5