REMARK  Name = BDB031312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.955  -1.616  -0.181  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.740  -2.301  -0.316  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.542  -1.575  -0.273  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        0.263  -2.041  -0.359  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -0.526  -0.985  -0.282  0.00  0.00    +0.147 A 
ATOM      6  N   LIG    1        0.222   0.182  -0.089  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        1.565  -0.193  -0.108  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        2.773   0.501   0.084  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        3.965  -0.233   0.035  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -0.276   1.503   0.121  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -1.404   1.702   0.936  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -1.837   2.999   1.086  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -1.201   4.075   0.472  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -1.882   5.234   0.824  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -1.674   6.179   0.545  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -2.950   4.890   1.666  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -3.757   5.654   2.164  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -0.097   3.914  -0.330  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -2.907   3.497   1.820  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -3.567   2.976   2.375  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        0.368   2.604  -0.505  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -1.979  -1.076  -0.455  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -2.702  -1.999   0.302  0.00  0.00    +0.078 A 
ATOM     24  C   LIG    1       -4.072  -2.070   0.125  0.00  0.00    +0.215 A 
ATOM     25  N   LIG    1       -4.756  -1.299  -0.747  0.00  0.00    -0.221 NA
ATOM     26  C   LIG    1       -4.033  -0.439  -1.493  0.00  0.00    +0.115 A 
ATOM     27  C   LIG    1       -2.660  -0.295  -1.391  0.00  0.00    +0.031 A 
BRANCH  24  28
ATOM     28  O   LIG    1       -4.744  -2.981   0.916  0.00  0.00    -0.480 OA
ATOM     29  C   LIG    1       -6.139  -3.039   0.638  0.00  0.00    +0.279 C 
ENDBRANCH  24  28
ENDBRANCH   5  22
BRANCH   1  33
ATOM     30  C   LIG    1        7.566  -2.466  -0.904  0.00  0.00    +0.128 C 
ATOM     31  N   LIG    1        6.330  -1.750  -0.705  0.00  0.00    -0.314 N 
ATOM     32  H   LIG    1        6.200  -0.888  -1.217  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1        5.214  -2.408  -0.226  0.00  0.00    +0.244 C 
ATOM     34  O   LIG    1        5.217  -3.583   0.121  0.00  0.00    -0.270 OA
ENDBRANCH   1  33
TORSDOF 4