REMARK  Name = BDB039389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.508   0.353  -0.247  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -1.727  -0.296  -0.548  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -2.928   0.337  -0.270  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -4.325  -0.119  -0.517  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -5.125   0.935   0.105  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.331   2.016   0.475  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.682   3.114   0.861  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.935   1.604   0.300  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.777   2.283   0.616  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.561   1.645   0.342  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        3.128  -0.255  -1.226  0.00  0.00    -0.021 A 
ATOM     12  C   LIG    1        3.138  -1.650  -1.029  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        4.105  -2.689  -1.158  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        3.498  -3.878  -0.814  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1        2.198  -3.600  -0.481  0.00  0.00    -0.335 N 
ATOM     16  C   LIG    1        1.212  -4.565  -0.055  0.00  0.00    +0.150 C 
ATOM     17  C   LIG    1        1.958  -2.255  -0.607  0.00  0.00    +0.141 A 
ATOM     18  N   LIG    1        0.778  -1.659  -0.357  0.00  0.00    -0.229 NA
ATOM     19  C   LIG    1        0.781  -0.316  -0.536  0.00  0.00    +0.074 A 
ATOM     20  C   LIG    1        1.904   0.396  -0.970  0.00  0.00    +0.034 A 
BRANCH  11  21
ATOM     21  C   LIG    1        4.324   0.543  -1.696  0.00  0.00    +0.120 C 
BRANCH  21  24
ATOM     22  C   LIG    1        6.748   1.455  -0.273  0.00  0.00    +0.146 C 
ATOM     23  C   LIG    1        5.893   2.331  -1.216  0.00  0.00    +0.117 C 
ATOM     24  N   LIG    1        4.667   1.632  -0.764  0.00  0.00    -0.293 NA
ATOM     25  C   LIG    1        5.405   1.121   0.414  0.00  0.00    +0.117 C 
BRANCH  22  27
ATOM     26  C   LIG    1        8.422   1.361   1.480  0.00  0.00    +0.194 C 
ATOM     27  O   LIG    1        7.748   2.148   0.509  0.00  0.00    -0.377 OA
ENDBRANCH  22  27
ENDBRANCH  21  24
ENDBRANCH  11  21
ENDBRANCH   1  19
BRANCH   5  28
ATOM     28  C   LIG    1       -6.576   1.047  -0.076  0.00  0.00    +0.163 C 
ATOM     29  C   LIG    1       -7.207  -0.265  -0.570  0.00  0.00    +0.240 C 
ATOM     30  O   LIG    1       -7.083  -0.670  -1.726  0.00  0.00    -0.273 OA
ATOM     31  N   LIG    1       -7.798  -1.065   0.379  0.00  0.00    -0.255 N 
ATOM     32  H   LIG    1       -8.127  -1.964   0.054  0.00  0.00    +0.158 HD
ATOM     33  C   LIG    1       -7.769  -0.903   1.741  0.00  0.00    +0.219 C 
ATOM     34  O   LIG    1       -8.117  -1.813   2.489  0.00  0.00    -0.275 OA
ATOM     35  C   LIG    1       -7.231   0.407   2.258  0.00  0.00    +0.098 C 
ATOM     36  C   LIG    1       -7.314   1.490   1.193  0.00  0.00    +0.041 C 
ENDBRANCH   5  28
TORSDOF 5