REMARK  Name = BDB059127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.853   1.307  -2.258  0.00  0.00    +0.023 C 
ATOM      2  C   LIG    1        1.458   0.398  -3.332  0.00  0.00    +0.148 C 
ATOM      3  C   LIG    1        2.381  -0.542  -2.549  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1        3.036   0.392  -1.516  0.00  0.00    +0.120 C 
ATOM      5  C   LIG    1        2.022   1.532  -1.277  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1        3.440  -0.255  -0.275  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1        4.644  -0.034   0.356  0.00  0.00    +0.146 A 
ATOM      8  C   LIG    1        4.669  -0.794   1.517  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1        5.829  -0.715   2.300  0.00  0.00    +0.129 A 
ATOM     10  N   LIG    1        6.836   0.082   1.895  0.00  0.00    -0.220 NA
ATOM     11  C   LIG    1        6.676   0.776   0.752  0.00  0.00    +0.225 A 
ATOM     12  C   LIG    1        3.422  -1.473   1.593  0.00  0.00    +0.032 A 
ATOM     13  N   LIG    1        5.620   0.782  -0.078  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1        2.679  -1.110   0.489  0.00  0.00    +0.089 A 
BRANCH   9  15
ATOM     15  N   LIG    1        6.013  -1.428   3.477  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        5.534  -2.317   3.503  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        6.997  -1.446   3.721  0.00  0.00    +0.144 HD
ENDBRANCH   9  15
ENDBRANCH   4   6
BRANCH   2  18
ATOM     18  O   LIG    1        2.261   1.175  -4.229  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        1.655   1.733  -4.750  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        3.335  -1.141  -3.421  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1        3.589  -0.435  -4.052  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   1  22
ATOM     22  C   LIG    1       -0.368   0.657  -1.584  0.00  0.00    +0.011 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.127   1.632  -0.671  0.00  0.00    +0.035 C 
BRANCH  23  31
ATOM     24  C   LIG    1       -8.006  -0.408   0.979  0.00  0.00    +0.067 C 
ATOM     25  C   LIG    1       -6.536  -0.223   0.949  0.00  0.00    +0.060 A 
ATOM     26  C   LIG    1       -5.574  -0.767   1.783  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1       -5.693  -1.683   2.943  0.00  0.00    +0.066 C 
ATOM     28  N   LIG    1       -4.371  -0.273   1.317  0.00  0.00    -0.304 N 
ATOM     29  C   LIG    1       -4.668   0.542   0.231  0.00  0.00    +0.138 A 
ATOM     30  C   LIG    1       -3.578   1.178  -0.428  0.00  0.00    +0.050 A 
ATOM     31  C   LIG    1       -2.310   0.972  -0.008  0.00  0.00    -0.043 A 
ATOM     32  C   LIG    1       -2.044   0.112   1.146  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1       -3.071  -0.486   1.774  0.00  0.00    +0.093 A 
ATOM     34  N   LIG    1       -5.960   0.582  -0.005  0.00  0.00    -0.233 NA
ENDBRANCH  23  31
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7