REMARK  Name = BDB036425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.866  -0.568  -0.152  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        2.511  -1.532   0.787  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        3.150  -2.492   1.171  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.165  -1.199   1.264  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        0.689  -0.125   0.515  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -0.578   0.398   0.756  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1       -1.332  -0.199   1.785  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.836  -1.286   2.529  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        0.432  -1.801   2.268  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.710   0.257  -0.504  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        6.570   2.263   0.225  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        5.925   1.314  -0.212  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        5.233   1.421  -1.392  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        5.307   2.314  -1.859  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        4.247   0.584  -1.857  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        3.510   0.951  -2.773  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        4.008  -0.715  -1.066  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        5.328  -1.103  -0.390  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        5.795   0.010   0.536  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1       -1.140   1.549  -0.035  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -1.274   1.243  -1.445  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1       -0.550   1.558  -2.079  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -2.186   0.415  -2.048  0.00  0.00    +0.245 C 
ATOM     24  O   LIG    1       -2.071   0.121  -3.234  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.278  -0.165  -1.254  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -4.347   0.632  -0.793  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.346   0.014  -0.036  0.00  0.00    +0.047 A 
ATOM     28  N   LIG    1       -6.265   0.985   0.297  0.00  0.00    -0.361 N 
ATOM     29  H   LIG    1       -7.104   0.820   0.836  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1       -5.888   2.193  -0.227  0.00  0.00    +0.083 A 
ATOM     31  C   LIG    1       -5.331  -1.355   0.266  0.00  0.00    +0.026 A 
ATOM     32  C   LIG    1       -4.272  -2.123  -0.231  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -4.710   2.005  -0.913  0.00  0.00    +0.028 A 
ATOM     34  C   LIG    1       -3.258  -1.542  -0.988  0.00  0.00    +0.014 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4