REMARK  Name = BDB059991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.348   1.195   0.345  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.223   2.433   0.497  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.167   3.182   1.685  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.954   4.323   1.847  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.800   4.738   0.821  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.852   4.019  -0.371  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.064   2.878  -0.536  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -0.926  -0.200  -1.555  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -1.105   0.029  -0.353  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.038  -0.785   0.439  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.767  -1.944  -0.001  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.534  -2.397   1.073  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.371  -3.517   0.993  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.427  -4.200  -0.224  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.675  -3.777  -1.317  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -3.293  -1.550   2.127  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -3.724  -1.634   3.038  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -2.845  -2.655  -1.219  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -2.395  -0.582   1.762  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        0.880   1.560  -0.411  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        0.616   1.597  -1.400  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.943   0.563  -0.240  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.165   0.937  -1.089  0.00  0.00    +0.050 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.283  -0.063  -0.922  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1        4.315  -1.229  -1.700  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        5.337  -2.164  -1.531  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.334  -1.944  -0.582  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.309  -0.791   0.200  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.287   0.145   0.033  0.00  0.00    +0.003 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7