REMARK  Name = BDB005063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.101  -0.683   0.170  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -0.937  -0.497   1.155  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -5.515   1.292   0.549  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -4.693   0.221   0.140  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1       -3.305   0.349   0.348  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -2.503  -0.740  -0.060  0.00  0.00    +0.134 A 
ATOM      7  N   LIG    1       -3.023  -1.832  -0.643  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -4.343  -1.856  -0.801  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -2.778   1.532   0.927  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -3.605   2.575   1.320  0.00  0.00    +0.002 A 
ATOM     11  N   LIG    1       -5.197  -0.894  -0.435  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -4.972   2.453   1.134  0.00  0.00    +0.015 A 
BRANCH   3  16
ATOM     13  N   LIG    1       -7.604   0.182  -0.129  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -7.050  -0.608  -0.448  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -8.604   0.183  -0.261  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1       -7.005   1.288   0.397  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -7.688   2.250   0.735  0.00  0.00    -0.270 OA
ENDBRANCH   3  16
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.082  -1.504  -0.364  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        1.135  -1.609   0.328  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        2.212  -2.356  -0.180  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        2.077  -2.977  -1.425  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        0.889  -2.853  -2.142  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -0.174  -2.112  -1.619  0.00  0.00    +0.023 A 
BRANCH  20  24
ATOM     24  C   LIG    1        3.504  -2.436   0.590  0.00  0.00    +0.140 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.327  -1.273   0.337  0.00  0.00    -0.307 N 
ATOM     26  H   LIG    1        4.645  -1.153  -0.615  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1        4.299  -0.180   1.179  0.00  0.00    +0.246 C 
ATOM     28  O   LIG    1        3.654  -0.141   2.221  0.00  0.00    -0.270 OA
BRANCH  27  29
ATOM     29  C   LIG    1        5.070   1.009   0.750  0.00  0.00    +0.055 A 
ATOM     30  C   LIG    1        6.202   0.916  -0.049  0.00  0.00    +0.123 A 
ATOM     31  N   LIG    1        6.928   1.984  -0.462  0.00  0.00    -0.263 NA
ATOM     32  C   LIG    1        6.515   3.199  -0.037  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        5.413   3.395   0.781  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        4.682   2.279   1.183  0.00  0.00    +0.016 A 
ENDBRANCH  27  29
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH   1  18
TORSDOF 6