REMARK  Name = BDB046571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.927  -0.267   2.044  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -2.944  -0.662   1.201  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1       -2.711  -0.910   0.248  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -2.028  -0.270   3.265  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        1.808   0.856   0.236  0.00  0.00    -0.047 A 
ATOM      6  C   LIG    1        0.610   1.034  -0.470  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -0.613   0.676   0.105  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -0.648   0.128   1.392  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        0.543  -0.034   2.108  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.764   0.323   1.531  0.00  0.00    +0.004 A 
BRANCH   5  11
ATOM     11  C   LIG    1        3.130   1.237  -0.387  0.00  0.00    +0.049 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.963   0.030  -0.834  0.00  0.00    +0.099 C 
ATOM     13  C   LIG    1        3.345  -0.713  -2.019  0.00  0.00    +0.019 C 
BRANCH  12  14
ATOM     14  C   LIG    1        5.346   0.527  -1.202  0.00  0.00    +0.310 C 
ATOM     15  O   LIG    1        5.685   0.886  -2.321  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1        6.141   0.547  -0.095  0.00  0.00    -0.465 OA
BRANCH  16  18
ATOM     17  C   LIG    1        7.527   2.531  -0.169  0.00  0.00    +0.048 C 
ATOM     18  C   LIG    1        7.482   1.020  -0.296  0.00  0.00    +0.229 C 
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  19
ATOM     19  C   LIG    1       -4.184  -1.153   1.749  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.210  -1.378   0.663  0.00  0.00    -0.019 A 
ATOM     21  C   LIG    1       -5.757  -0.315  -0.094  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1       -6.698  -0.611  -1.101  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -7.099  -1.923  -1.351  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -6.563  -2.964  -0.602  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.626  -2.696   0.395  0.00  0.00    +0.006 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -5.340   1.127   0.115  0.00  0.00    +0.418 C 
ATOM     27  F   LIG    1       -4.102   1.388  -0.393  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -5.312   1.504   1.421  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -6.175   2.017  -0.498  0.00  0.00    -0.166 F 
ENDBRANCH  21  26
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 9