REMARK  Name = BDB046061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.381  -0.685  -3.089  0.00  0.00    +0.215 C 
ATOM      2  N   LIG    1        0.955  -0.728  -3.374  0.00  0.00    -0.308 N 
ATOM      3  H   LIG    1        1.167  -0.344  -4.288  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.173  -0.392  -3.982  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -0.809  -1.014  -1.673  0.00  0.00    +0.120 C 
BRANCH   5   7
ATOM      6  C   LIG    1       -3.029  -2.217  -2.034  0.00  0.00    +0.031 C 
ATOM      7  C   LIG    1       -2.337  -0.959  -1.486  0.00  0.00    +0.098 C 
BRANCH   7   8
ATOM      8  N   LIG    1       -2.718  -0.720  -0.060  0.00  0.00    -0.294 N 
ATOM      9  C   LIG    1       -2.288  -1.653   0.888  0.00  0.00    +0.330 A 
ATOM     10  O   LIG    1       -1.567  -2.620   0.645  0.00  0.00    -0.246 OA
ATOM     11  N   LIG    1       -2.706  -1.453   2.169  0.00  0.00    -0.275 N 
ATOM     12  H   LIG    1       -2.421  -2.140   2.848  0.00  0.00    +0.173 HD
ATOM     13  C   LIG    1       -3.561  -0.488   2.593  0.00  0.00    +0.257 A 
ATOM     14  O   LIG    1       -3.954  -0.436   3.753  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1       -3.977   0.498   1.573  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1       -4.906   1.581   2.049  0.00  0.00    +0.042 C 
ATOM     17  C   LIG    1       -5.576   2.338   0.905  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -4.556   2.678  -0.168  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1       -3.908   1.410  -0.732  0.00  0.00    +0.054 C 
ATOM     20  C   LIG    1       -3.532   0.366   0.307  0.00  0.00    +0.032 A 
ENDBRANCH   7   8
ENDBRANCH   5   7
ENDBRANCH   1   5
BRANCH   2  21
ATOM     21  C   LIG    1        2.055  -0.861  -2.431  0.00  0.00    +0.184 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.498   0.498  -1.892  0.00  0.00    +0.180 C 
ATOM     23  O   LIG    1        2.056   1.558  -2.335  0.00  0.00    -0.290 OA
BRANCH  22  24
ATOM     24  C   LIG    1        3.518   0.533  -0.799  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        4.140  -0.624  -0.313  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        5.096  -0.549   0.718  0.00  0.00    -0.017 A 
ATOM     27  C   LIG    1        5.433   0.710   1.266  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1        6.386   0.781   2.294  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        7.001  -0.374   2.777  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        6.671  -1.615   2.239  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        4.808   1.862   0.769  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1        5.724  -1.702   1.216  0.00  0.00    +0.008 A 
ATOM     33  C   LIG    1        3.861   1.775  -0.253  0.00  0.00    +0.012 A 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 6