REMARK  Name = BDB005088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.903   0.624  -2.124  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.485   1.484  -1.107  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -0.507   2.453  -1.340  0.00  0.00    -0.029 A 
ATOM      4  C   LIG    1       -1.084   2.546  -2.614  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.673   1.692  -3.635  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.315   0.737  -3.390  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.645  -0.630  -0.831  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.881  -0.379  -1.956  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        2.081  -0.934  -2.778  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.673   0.020   0.206  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        5.720  -2.801  -0.447  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        4.832  -1.722  -0.386  0.00  0.00    +0.036 A 
ATOM     13  C   LIG    1        3.549  -1.807  -0.949  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        3.136  -2.982  -1.585  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        4.022  -4.050  -1.689  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        5.305  -3.948  -1.141  0.00  0.00    +0.023 A 
BRANCH  11  18
ATOM     17  C   LIG    1        7.401  -1.750   1.013  0.00  0.00    +0.125 C 
ATOM     18  N   LIG    1        7.037  -2.749   0.022  0.00  0.00    -0.347 N 
ATOM     19  H   LIG    1        7.392  -3.674   0.253  0.00  0.00    +0.146 HD
ENDBRANCH  11  18
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -0.948   3.377  -0.227  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.350   3.156   0.126  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -2.752   3.987   0.547  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.611   2.069   0.993  0.00  0.00    +0.130 A 
ATOM     24  C   LIG    1       -3.947   1.723   1.281  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1       -4.144   0.649   2.172  0.00  0.00    +0.088 A 
ATOM     26  C   LIG    1       -5.475   0.296   2.479  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1       -6.567   0.982   1.910  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -6.360   2.026   1.024  0.00  0.00    +0.002 A 
ATOM     29  N   LIG    1       -3.084  -0.006   2.698  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1       -1.859   0.397   2.341  0.00  0.00    +0.223 A 
ATOM     31  C   LIG    1       -5.058   2.392   0.710  0.00  0.00    +0.013 A 
ATOM     32  N   LIG    1       -1.575   1.409   1.527  0.00  0.00    -0.220 NA
BRANCH  26  33
ATOM     33  C   LIG    1       -5.833  -0.817   3.414  0.00  0.00    +0.244 C 
ATOM     34  O   LIG    1       -7.002  -1.099   3.660  0.00  0.00    -0.270 OA
ATOM     35  N   LIG    1       -4.826  -1.525   4.000  0.00  0.00    -0.325 N 
ATOM     36  H   LIG    1       -5.056  -2.285   4.622  0.00  0.00    +0.145 HD
ATOM     37  H   LIG    1       -3.854  -1.313   3.794  0.00  0.00    +0.145 HD
ENDBRANCH  26  33
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7