REMARK  Name = BDB052309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.570   0.630   0.116  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1        1.285   0.059  -0.016  0.00  0.00    +0.125 A 
ATOM      3  C   LIG    1        1.095  -1.394   0.043  0.00  0.00    +0.114 A 
ATOM      4  N   LIG    1       -0.206  -1.667  -0.115  0.00  0.00    -0.147 NA
ATOM      5  N   LIG    1       -0.763  -0.440  -0.252  0.00  0.00    -0.149 N 
ATOM      6  C   LIG    1        2.160  -2.294   0.233  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        3.427  -1.696   0.364  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        0.082   0.614  -0.234  0.00  0.00    -0.146 NA
ATOM      9  C   LIG    1        3.626  -0.293   0.309  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -2.163  -0.270  -0.425  0.00  0.00    +0.086 A 
ATOM     11  C   LIG    1       -2.703   1.018  -0.562  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -4.079   1.182  -0.732  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -4.918   0.068  -0.766  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.386  -1.214  -0.630  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.010  -1.387  -0.460  0.00  0.00    +0.029 A 
ENDBRANCH   5  10
BRANCH   1  19
ATOM     16  N   LIG    1        3.947   2.507  -0.519  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1        4.028   3.509  -0.645  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        4.466   1.916  -1.152  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1        2.794   2.084   0.088  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        2.014   2.887   0.578  0.00  0.00    -0.270 OA
ENDBRANCH   1  19
TORSDOF 2