REMARK  Name = BDB046717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.777   2.586  -2.519  0.00  0.00    -0.489 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        4.525   2.485  -0.676  0.00  0.00    -0.046 A 
ATOM      3  C   LIG    1        3.496   3.215  -0.068  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.225   3.281  -0.650  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.965   2.618  -1.847  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.991   1.889  -2.454  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        4.262   1.821  -1.879  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        5.888   2.387  -0.029  0.00  0.00    +0.061 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.081   1.069   0.735  0.00  0.00    +0.210 C 
BRANCH   9  10
ATOM     10  C   LIG    1        7.524   0.877   1.122  0.00  0.00    +0.321 C 
ATOM     11  O   LIG    1        7.937   0.714   2.262  0.00  0.00    -0.250 OA
BRANCH  10  13
ATOM     12  C   LIG    1        9.705   0.651   0.282  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1        8.316   0.853   0.009  0.00  0.00    -0.467 OA
ENDBRANCH  10  13
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  C   LIG    1        5.201   1.048   1.961  0.00  0.00    +0.321 C 
ATOM     15  O   LIG    1        5.009   2.003   2.704  0.00  0.00    -0.250 OA
BRANCH  14  16
ATOM     16  O   LIG    1        4.644  -0.188   2.122  0.00  0.00    -0.467 OA
ATOM     17  C   LIG    1        3.787  -0.296   3.259  0.00  0.00    +0.280 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  C   LIG    1       -0.323   3.354  -2.025  0.00  0.00    +0.270 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.122   2.591  -0.965  0.00  0.00    +0.270 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.804   1.503  -1.597  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.557   0.691  -0.794  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -3.121  -0.411  -1.441  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -3.925  -1.358  -0.764  0.00  0.00    -0.035 A 
ATOM     24  C   LIG    1       -4.492  -2.550  -1.546  0.00  0.00    -0.009 C 
ATOM     25  C   LIG    1       -5.046  -3.639  -0.600  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -5.896  -3.049   0.512  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -5.083  -2.102   1.423  0.00  0.00    -0.010 C 
ATOM     28  C   LIG    1       -6.113  -1.336   2.287  0.00  0.00    +0.016 C 
ATOM     29  C   LIG    1       -4.178  -2.928   2.364  0.00  0.00    +0.016 C 
ATOM     30  C   LIG    1       -3.409  -3.237  -2.415  0.00  0.00    +0.016 C 
ATOM     31  C   LIG    1       -5.613  -2.042  -2.479  0.00  0.00    +0.016 C 
ATOM     32  C   LIG    1       -4.201  -1.148   0.606  0.00  0.00    -0.038 A 
ATOM     33  C   LIG    1       -3.608  -0.038   1.246  0.00  0.00    +0.008 A 
ATOM     34  C   LIG    1       -2.798   0.870   0.559  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11