REMARK  Name = BDB003249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.448  -2.444  -1.094  0.00  0.00    +0.119 A 
ATOM      2  C   LIG    1        1.234  -1.315  -0.807  0.00  0.00    +0.128 A 
ATOM      3  C   LIG    1        0.405  -0.347  -0.252  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1        0.832   0.867   0.177  0.00  0.00    -0.225 NA
ATOM      5  C   LIG    1        2.149   1.067   0.002  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1        3.003   0.095  -0.578  0.00  0.00    +0.090 A 
ATOM      7  C   LIG    1        4.353   0.388  -0.727  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        4.884   1.612  -0.318  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        4.049   2.562   0.253  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        2.691   2.280   0.407  0.00  0.00    +0.030 A 
ATOM     11  N   LIG    1       -0.883  -0.874  -0.169  0.00  0.00    -0.278 N 
ATOM     12  N   LIG    1        2.561  -1.101  -0.991  0.00  0.00    -0.241 NA
ATOM     13  C   LIG    1       -0.857  -2.162  -0.732  0.00  0.00    +0.122 A 
ENDROOT
BRANCH  11  14
ATOM     14  C   LIG    1       -2.011  -0.241   0.441  0.00  0.00    +0.070 A 
ATOM     15  C   LIG    1       -2.316   1.118   0.238  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1       -3.356   1.692   0.983  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1       -4.147   0.922   1.836  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -3.885  -0.434   1.986  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -2.817  -1.014   1.299  0.00  0.00    +0.028 A 
BRANCH  15  20
ATOM     20  N   LIG    1       -1.554   1.995  -0.563  0.00  0.00    -0.356 N 
ATOM     21  H   LIG    1       -0.694   2.212  -0.045  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -1.233   1.537  -1.412  0.00  0.00    +0.142 HD
ENDBRANCH  15  20
ENDBRANCH  11  14
BRANCH  13  23
ATOM     23  N   LIG    1       -1.977  -2.918  -0.901  0.00  0.00    -0.343 N 
ATOM     24  H   LIG    1       -1.956  -3.750  -1.492  0.00  0.00    +0.144 HD
ATOM     25  H   LIG    1       -2.901  -2.483  -0.903  0.00  0.00    +0.144 HD
ENDBRANCH  13  23
BRANCH   1  27
ATOM     26  N   LIG    1        1.241  -4.654  -2.179  0.00  0.00    -0.191 NA
ATOM     27  C   LIG    1        0.907  -3.656  -1.688  0.00  0.00    +0.105 C 
ENDBRANCH   1  27
TORSDOF 4