REMARK  Name = BDB000743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.159  -0.189  -1.258  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1        0.984  -0.006  -0.550  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.681   0.544   0.815  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -0.724   0.160   1.363  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1       -1.779  -0.002   0.304  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -3.201   0.022   0.395  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -3.706  -0.282  -0.878  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -5.077  -0.347  -1.149  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -5.960  -0.100  -0.094  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -5.489   0.198   1.183  0.00  0.00    +0.001 A 
ATOM     11  N   LIG    1       -2.626  -0.493  -1.712  0.00  0.00    -0.353 N 
ATOM     12  H   LIG    1       -2.667  -0.733  -2.693  0.00  0.00    +0.166 HD
ATOM     13  C   LIG    1       -4.115   0.259   1.442  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -1.485  -0.300  -1.007  0.00  0.00    +0.071 A 
ATOM     15  C   LIG    1       -0.029  -0.382  -1.460  0.00  0.00    +0.113 A 
ATOM     16  N   LIG    1        0.425  -0.754  -2.649  0.00  0.00    -0.171 NA
ATOM     17  N   LIG    1        1.761  -0.653  -2.492  0.00  0.00    -0.270 N 
ATOM     18  H   LIG    1        2.365  -0.896  -3.272  0.00  0.00    +0.189 HD
ENDROOT
BRANCH   1  19
ATOM     19  C   LIG    1        3.546   0.021  -0.958  0.00  0.00    +0.357 C 
ATOM     20  O   LIG    1        4.460  -0.224  -1.734  0.00  0.00    -0.243 OA
BRANCH  19  21
ATOM     21  O   LIG    1        3.692   0.525   0.296  0.00  0.00    -0.460 OA
BRANCH  21  23
ATOM     22  C   LIG    1        5.648  -0.469   1.318  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1        5.040   0.783   0.715  0.00  0.00    +0.229 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 3