REMARK  Name = BDB044824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.072   1.456  -0.948  0.00  0.00    +0.093 A 
ATOM      2  C   LIG    1       -0.982   1.173  -0.023  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.104   1.789  -0.564  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -3.370   1.746   0.032  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -3.528   1.038   1.238  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -2.393   0.443   1.811  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1       -1.667   2.390  -1.711  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1       -2.213   2.938  -2.366  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -1.128   0.499   1.204  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1       -0.361   2.223  -1.960  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.879   0.965   1.911  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -6.066   0.274   1.269  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -6.071  -0.408  -0.070  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -7.314  -0.157  -0.672  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -7.670  -0.635  -1.917  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -6.728  -1.411  -2.593  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.477  -1.687  -2.013  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -8.099   0.620   0.184  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -9.041   0.926  -0.000  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -5.146  -1.191  -0.746  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -7.436   0.906   1.363  0.00  0.00    +0.228 C 
ATOM     22  O   LIG    1       -7.853   1.547   2.313  0.00  0.00    -0.274 OA
ATOM     23  C   LIG    1       -5.403  -0.344   2.466  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  25
ATOM     24  C   LIG    1        1.913  -0.089  -0.326  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        1.444   1.045  -0.872  0.00  0.00    +0.031 C 
BRANCH  24  29
ATOM     26  C   LIG    1        6.048  -1.247  -0.196  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        5.195  -1.469   0.894  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        3.853  -1.081   0.841  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        3.336  -0.456  -0.299  0.00  0.00    -0.025 A 
ATOM     30  C   LIG    1        4.179  -0.252  -1.397  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        5.522  -0.641  -1.345  0.00  0.00    +0.005 A 
BRANCH  26  32
ATOM     32  C   LIG    1        7.502  -1.668  -0.140  0.00  0.00    +0.119 C 
BRANCH  32  34
ATOM     33  C   LIG    1        8.242  -0.313   1.760  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1        8.464  -0.677   0.365  0.00  0.00    -0.304 NA
ATOM     35  C   LIG    1        8.570   0.508  -0.478  0.00  0.00    +0.104 C 
ENDBRANCH  32  34
ENDBRANCH  26  32
ENDBRANCH  24  29
ENDBRANCH   1  25
TORSDOF 5