REMARK  Name = BDB063973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.164   1.427   0.826  0.00  0.00    +0.187 C 
ATOM      2  N   LIG    1       -0.249   2.669   1.351  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.057   3.104   1.757  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.946   3.293   1.202  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.263   4.417   1.536  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.765   2.251   0.525  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.049   2.454   0.207  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.995   1.125   0.327  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.952   1.494  -0.447  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.509   0.615  -1.448  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.436  -0.253  -2.052  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.786  -0.257  -1.695  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.580  -1.166  -2.376  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.842  -1.834  -3.232  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.223   0.641  -0.703  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.179  -1.432  -3.283  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.306   1.508  -0.095  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.257   0.629   0.860  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -2.006   0.861   1.507  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.180  -0.798   0.561  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.565  -1.474   0.726  0.00  0.00    +0.165 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.642  -1.108  -0.287  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1       -4.929  -1.658  -0.128  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -5.952  -1.382  -1.037  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.708  -0.553  -2.127  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.442  -0.001  -2.305  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.417  -0.278  -1.395  0.00  0.00    +0.006 A 
ENDBRANCH  21  22
BRANCH  21  29
ATOM     28  C   LIG    1       -2.670  -2.074   3.036  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1       -3.082  -1.151   2.037  0.00  0.00    -0.374 OA
ENDBRANCH  21  29
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6