REMARK  Name = BDB054336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.252  -1.045   1.012  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.892  -0.248   1.190  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1        1.927  -0.237   0.239  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        1.809  -1.056  -0.892  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.681  -1.855  -1.077  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.343  -1.850  -0.132  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.154   0.627   0.479  0.00  0.00    +0.071 C 
ATOM      8  C   LIG    1        3.663   1.373  -0.764  0.00  0.00    +0.174 C 
ATOM      9  O   LIG    1        4.634   0.594  -1.460  0.00  0.00    -0.339 OA
ATOM     10  C   LIG    1        5.799   0.326  -0.667  0.00  0.00    +0.267 C 
ATOM     11  C   LIG    1        6.854   1.392  -0.972  0.00  0.00    +0.087 C 
ATOM     12  O   LIG    1        5.542   0.399   0.742  0.00  0.00    -0.339 OA
ATOM     13  C   LIG    1        4.294  -0.207   1.070  0.00  0.00    +0.174 C 
BRANCH  10  14
ATOM     14  C   LIG    1        6.400  -1.057  -1.072  0.00  0.00    +0.365 C 
ATOM     15  O   LIG    1        6.690  -1.983  -0.326  0.00  0.00    -0.245 OA
BRANCH  14  16
ATOM     16  O   LIG    1        6.596  -1.199  -2.405  0.00  0.00    -0.477 OA
ATOM     17  H   LIG    1        6.939  -2.112  -2.494  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  10  14
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1       -1.356  -1.045   2.044  0.00  0.00    +0.094 C 
BRANCH  18  21
ATOM     19  C   LIG    1       -1.888   2.234   1.429  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1       -2.693   1.021   1.208  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1       -2.507  -0.328   1.435  0.00  0.00    +0.087 A 
ATOM     22  N   LIG    1       -3.629  -1.016   1.018  0.00  0.00    -0.213 NA
ATOM     23  C   LIG    1       -4.432  -0.082   0.544  0.00  0.00    +0.228 A 
ATOM     24  O   LIG    1       -3.921   1.187   0.633  0.00  0.00    -0.440 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -5.762  -0.219  -0.044  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -6.487   0.888  -0.510  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -7.758   0.727  -1.069  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -8.320  -0.544  -1.169  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.614  -1.654  -0.712  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.343  -1.492  -0.153  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 6