REMARK  Name = BDB047535
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.456   1.638   1.179  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -4.644  -0.790   1.050  0.00  0.00    +0.033 C 
ATOM      3  C   LIG    1       -3.381   0.043   0.964  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.282  -0.692   1.427  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -1.014  -0.135   1.496  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.830   1.185   1.077  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -1.928   1.926   0.617  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -2.687  -2.069   1.843  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -3.210   1.359   0.565  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -4.018  -2.206   1.098  0.00  0.00    +0.013 C 
BRANCH   2  11
ATOM     11  C   LIG    1       -5.668  -0.596  -0.090  0.00  0.00    +0.105 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -7.622  -1.600  -1.404  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -6.657  -1.772  -0.235  0.00  0.00    +0.012 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -6.447   0.684   0.136  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -6.468   1.650  -0.612  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.174   0.689   1.268  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -7.618   1.563   1.265  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   2  11
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        0.745   2.916   0.612  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.244   3.194   0.723  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.079   2.336  -0.165  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.129   2.267  -1.542  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        2.429   2.941  -2.648  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.063   1.330  -1.882  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.548   0.879  -0.682  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        4.001   1.460   0.367  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        5.581  -0.152  -0.732  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        6.112  -0.650   0.471  0.00  0.00    +0.062 A 
ATOM     28  C   LIG    1        7.088  -1.623   0.404  0.00  0.00    +0.167 A 
ATOM     29  O   LIG    1        7.701  -2.208   1.468  0.00  0.00    -0.453 OA
ATOM     30  C   LIG    1        8.597  -3.119   0.799  0.00  0.00    +0.466 C 
ATOM     31  O   LIG    1        8.505  -3.061  -0.639  0.00  0.00    -0.453 OA
ATOM     32  C   LIG    1        7.546  -2.111  -0.796  0.00  0.00    +0.166 A 
ATOM     33  C   LIG    1        7.055  -1.652  -1.998  0.00  0.00    +0.050 A 
ATOM     34  C   LIG    1        6.064  -0.664  -1.961  0.00  0.00    +0.017 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9