REMARK  Name = BDB048379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.317   0.214  -0.122  0.00  0.00    +0.150 A 
ATOM      2  C   LIG    1       -1.736   0.138  -0.126  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -2.668  -0.925   0.334  0.00  0.00    +0.148 C 
ATOM      4  N   LIG    1       -4.061  -0.598  -0.033  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -4.461   0.829  -0.002  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -3.562   1.730  -0.877  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -4.966  -1.648   0.057  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -4.620  -2.796   0.336  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -6.416  -1.340  -0.214  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -2.156   1.335  -0.658  0.00  0.00    +0.044 A 
ATOM     11  N   LIG    1       -1.037   2.042  -0.950  0.00  0.00    -0.279 N 
ATOM     12  H   LIG    1       -0.951   2.964  -1.365  0.00  0.00    +0.189 HD
ATOM     13  N   LIG    1        0.086   1.386  -0.627  0.00  0.00    -0.158 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1        0.458  -0.801   0.334  0.00  0.00    -0.298 N 
ATOM     15  H   LIG    1       -0.013  -1.653   0.613  0.00  0.00    +0.154 HD
BRANCH  14  18
ATOM     16  C   LIG    1        4.135  -0.017   0.482  0.00  0.00    +0.061 A 
ATOM     17  C   LIG    1        2.751   0.154   0.317  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        1.858  -0.908   0.502  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        2.393  -2.161   0.851  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        3.768  -2.345   1.018  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        4.639  -1.274   0.835  0.00  0.00    +0.015 A 
BRANCH  16  22
ATOM     22  C   LIG    1        5.022   1.163   0.278  0.00  0.00    +0.339 C 
ATOM     23  O   LIG    1        4.620   2.289   0.031  0.00  0.00    -0.245 OA
BRANCH  22  25
ATOM     24  C   LIG    1        7.243   1.883   0.215  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1        6.326   0.805   0.403  0.00  0.00    -0.464 OA
ENDBRANCH  22  25
ENDBRANCH  16  22
ENDBRANCH  14  18
ENDBRANCH   1  14
TORSDOF 4