REMARK  Name = BDB059120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.606  -0.036  -1.373  0.00  0.00    +0.120 C 
ATOM      2  C   LIG    1       -2.152   1.259  -2.095  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1       -0.676   1.473  -1.711  0.00  0.00    +0.152 C 
ATOM      4  C   LIG    1       -0.202   0.087  -1.269  0.00  0.00    +0.045 C 
ATOM      5  C   LIG    1       -1.412  -0.401  -0.473  0.00  0.00    +0.038 C 
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -6.235  -0.422   1.892  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -5.650  -0.067   0.668  0.00  0.00    +0.058 A 
ATOM      8  C   LIG    1       -6.096   0.537  -0.537  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1       -5.023   0.585  -1.397  0.00  0.00    +0.089 A 
ATOM     10  N   LIG    1       -3.915   0.082  -0.743  0.00  0.00    -0.326 N 
ATOM     11  C   LIG    1       -4.299  -0.355   0.505  0.00  0.00    +0.146 A 
ATOM     12  N   LIG    1       -3.515  -0.958   1.416  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -4.184  -1.253   2.542  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1       -5.478  -1.023   2.828  0.00  0.00    -0.220 NA
BRANCH   6  15
ATOM     15  N   LIG    1       -7.573  -0.210   2.196  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -8.191  -0.213   1.396  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -7.852  -0.784   2.982  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1       -2.268   1.088  -3.514  0.00  0.00    -0.387 OA
ATOM     19  H   LIG    1       -1.506   1.581  -3.888  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        0.060   1.975  -2.824  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        0.999   1.985  -2.559  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1        1.059   0.133  -0.447  0.00  0.00    -0.020 C 
ATOM     23  C   LIG    1        2.199  -0.476  -0.810  0.00  0.00    +0.004 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.440  -0.430  -0.026  0.00  0.00    -0.023 A 
ATOM     25  C   LIG    1        4.666  -0.354  -0.703  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        5.882  -0.330  -0.030  0.00  0.00    +0.072 A 
ATOM     27  C   LIG    1        5.869  -0.398   1.378  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.098  -0.374   2.050  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1        8.280  -0.285   1.325  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        8.191  -0.223  -0.052  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        4.651  -0.491   2.069  0.00  0.00    +0.010 A 
ATOM     32  N   LIG    1        7.025  -0.244  -0.735  0.00  0.00    -0.255 NA
ATOM     33  C   LIG    1        3.445  -0.512   1.369  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
ENDBRANCH   4  22
TORSDOF 6