REMARK  Name = BDB058025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.396  -2.204   0.660  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.747  -1.666  -0.456  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.644  -1.755  -0.559  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -1.393  -2.383   0.447  0.00  0.00    -0.021 A 
ATOM      5  C   LIG    1       -0.727  -2.951   1.542  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.664  -2.865   1.649  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        5.375   3.777  -0.736  0.00  0.00    +0.088 C 
ATOM      8  C   LIG    1        5.750   2.392  -0.381  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1        4.872   1.418  -0.003  0.00  0.00    -0.312 N 
ATOM     10  C   LIG    1        3.436   1.485   0.129  0.00  0.00    +0.144 C 
ATOM     11  C   LIG    1        2.925   0.342   1.003  0.00  0.00    +0.130 C 
ATOM     12  N   LIG    1        3.527  -0.939   0.608  0.00  0.00    -0.288 N 
ATOM     13  C   LIG    1        4.995  -1.000   0.661  0.00  0.00    +0.184 C 
ATOM     14  C   LIG    1        2.872  -2.162   0.768  0.00  0.00    +0.247 C 
ATOM     15  O   LIG    1        3.461  -3.219   0.973  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        5.604   0.283   0.217  0.00  0.00    +0.151 A 
ATOM     17  N   LIG    1        6.872   0.556   0.003  0.00  0.00    -0.133 NA
ATOM     18  N   LIG    1        6.963   1.879  -0.373  0.00  0.00    -0.135 NA
ENDBRANCH   1  14
BRANCH   4  19
ATOM     19  C   LIG    1       -2.850  -2.533   0.351  0.00  0.00    +0.058 C 
ATOM     20  C   LIG    1       -3.701  -1.548   0.038  0.00  0.00    +0.176 C 
ATOM     21  C   LIG    1       -5.172  -1.738  -0.043  0.00  0.00    +0.231 C 
ATOM     22  O   LIG    1       -5.824  -2.741   0.138  0.00  0.00    -0.283 OA
ATOM     23  C   LIG    1       -5.652  -0.408  -0.397  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -4.541   0.432  -0.490  0.00  0.00    +0.152 A 
ATOM     25  C   LIG    1       -4.692   1.769  -0.812  0.00  0.00    +0.079 A 
ATOM     26  C   LIG    1       -6.002   2.231  -1.044  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1       -7.115   1.369  -0.948  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.945   0.025  -0.617  0.00  0.00    +0.015 A 
ATOM     29  O   LIG    1       -3.359  -0.230  -0.232  0.00  0.00    -0.451 OA
BRANCH  25  30
ATOM     30  C   LIG    1       -3.567   2.732  -0.926  0.00  0.00    +0.245 C 
ATOM     31  O   LIG    1       -3.753   3.891  -1.279  0.00  0.00    -0.270 OA
ATOM     32  N   LIG    1       -2.310   2.300  -0.617  0.00  0.00    -0.325 N 
ATOM     33  H   LIG    1       -1.564   2.982  -0.660  0.00  0.00    +0.145 HD
ATOM     34  H   LIG    1       -2.110   1.374  -0.263  0.00  0.00    +0.145 HD
ENDBRANCH  25  30
ENDBRANCH   4  19
TORSDOF 3