REMARK  Name = BDB049228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.910  -2.209   0.587  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.984  -1.178  -0.570  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        0.469  -1.020  -1.066  0.00  0.00    +0.094 C 
ATOM      4  N   LIG    1        1.349  -1.824  -0.198  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        0.453  -2.881   0.308  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.607   0.155  -0.224  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -2.419   0.949  -1.104  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -2.788   2.108  -0.417  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -3.591   3.101  -1.002  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -4.025   2.907  -2.316  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.671   1.762  -3.023  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -2.221   2.027   0.835  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1       -2.359   3.025   1.872  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -2.871   0.780  -2.430  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -1.504   0.868   0.958  0.00  0.00    +0.090 A 
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  C   LIG    1       -3.326  -2.486   0.831  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1       -2.042  -3.171   0.654  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -1.860  -4.141   1.739  0.00  0.00    +0.104 C 
ENDBRANCH   1  17
BRANCH   4  19
ATOM     19  C   LIG    1        1.938  -1.046   0.903  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.046  -0.117   0.453  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        4.310  -0.562   0.260  0.00  0.00    +0.051 A 
ATOM     22  C   LIG    1        5.341   0.339  -0.128  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1        4.987   1.673  -0.291  0.00  0.00    -0.307 N 
ATOM     24  C   LIG    1        6.125   2.342  -0.664  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1        7.114   1.386  -0.705  0.00  0.00    +0.131 A 
ATOM     26  C   LIG    1        3.700   2.158  -0.087  0.00  0.00    +0.093 A 
ATOM     27  N   LIG    1        6.622   0.150  -0.368  0.00  0.00    -0.236 NA
ATOM     28  C   LIG    1        2.730   1.305   0.284  0.00  0.00    +0.023 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4