REMARK  Name = BDB016184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.730   0.815   1.272  0.00  0.00    +0.052 A 
ATOM      2  N   LIG    1        0.198  -0.190   1.074  0.00  0.00    -0.343 N 
ATOM      3  C   LIG    1       -0.043  -1.608   1.254  0.00  0.00    +0.149 C 
ATOM      4  C   LIG    1        1.407   0.346   0.669  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        1.255   1.732   0.651  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        2.349   2.535   0.280  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        3.563   1.929  -0.070  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        3.709   0.538  -0.058  0.00  0.00    -0.013 A 
ATOM      9  C   LIG    1        2.623  -0.271   0.317  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -0.079   2.013   1.040  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  24
ATOM     11  C   LIG    1       -4.224   0.682  -2.110  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.489  -0.577  -1.656  0.00  0.00    +0.076 C 
ATOM     13  N   LIG    1       -2.621  -0.333  -0.518  0.00  0.00    -0.339 N 
ATOM     14  H   LIG    1       -1.820   0.246  -0.777  0.00  0.00    +0.146 HD
ATOM     15  C   LIG    1       -3.086   0.015   0.759  0.00  0.00    +0.058 A 
ATOM     16  C   LIG    1       -4.383  -0.235   1.261  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -4.718   0.186   2.567  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -3.792   0.798   3.405  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -2.497   0.991   2.956  0.00  0.00    +0.012 A 
ATOM     20  N   LIG    1       -5.452  -0.865   0.593  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1       -6.348  -0.862   1.066  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1       -5.546  -1.528  -0.584  0.00  0.00    +0.219 C 
ATOM     23  O   LIG    1       -6.652  -1.965  -0.917  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1       -2.133   0.593   1.661  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1       -4.344  -1.797  -1.426  0.00  0.00    +0.118 C 
ENDBRANCH   1  24
BRANCH   8  26
ATOM     26  C   LIG    1        4.974  -0.082  -0.420  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.878   0.420  -1.334  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        6.909  -0.473  -1.386  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.094  -0.385  -2.203  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        6.745  -1.531  -0.572  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.568  -1.291   0.014  0.00  0.00    +0.142 A 
ENDBRANCH   8  26
TORSDOF 2