REMARK  Name = BDB044041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.438   0.704   0.066  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        2.107   0.266   0.652  0.00  0.00    +0.175 C 
ATOM      3  O   LIG    1        1.062   1.143   0.155  0.00  0.00    -0.488 OA
ATOM      4  C   LIG    1       -0.040   0.328   0.038  0.00  0.00    +0.136 A 
ATOM      5  C   LIG    1        0.284  -1.020   0.124  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.689  -2.002   0.016  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -2.014  -1.619  -0.214  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -2.339  -0.251  -0.249  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -1.350   0.743  -0.152  0.00  0.00    +0.080 A 
ATOM     10  C   LIG    1        1.747  -1.178   0.285  0.00  0.00    +0.083 C 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -1.771   2.167  -0.243  0.00  0.00    +0.245 C 
ATOM     12  O   LIG    1       -2.942   2.482  -0.417  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -0.805   3.124  -0.131  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -1.075   4.094  -0.210  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        0.173   2.885  -0.014  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   7  16
ATOM     16  N   LIG    1       -3.032  -2.579  -0.197  0.00  0.00    -0.358 N 
ATOM     17  H   LIG    1       -2.740  -3.504  -0.498  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1       -3.891  -2.279  -0.650  0.00  0.00    +0.142 HD
ENDBRANCH   7  16
TORSDOF 2