REMARK  Name = BDB047555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.746   0.566   1.106  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.490   0.267   0.326  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.786   1.451   0.064  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.564   1.448  -0.597  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.038   0.226  -1.017  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.741  -0.961  -0.754  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.502   2.641   0.626  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.964  -0.949  -0.075  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.916   2.075   0.792  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -6.032  -0.245   0.848  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -7.437  -2.200   1.698  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -6.053  -1.559   1.658  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -6.261  -0.525  -0.625  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -5.964  -1.538  -1.237  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.892   0.484  -1.256  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -6.958   0.171  -2.183  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.144   0.048  -1.683  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.914   1.218  -1.971  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.190   0.799  -2.700  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.205   0.220  -1.779  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.290  -1.046  -1.243  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        2.478  -2.272  -1.328  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.399  -1.090  -0.447  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.949   0.160  -0.550  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        4.260   0.980  -1.324  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.159   0.441   0.231  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        7.046  -0.542   0.727  0.00  0.00    -0.038 A 
ATOM     28  C   LIG    1        6.855  -2.016   0.487  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        8.165  -0.142   1.485  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        8.424   1.205   1.736  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.569   2.176   1.234  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        6.452   1.796   0.490  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9