REMARK  Name = BDB003829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.009  -0.194  -0.594  0.00  0.00    -0.297 NA
ATOM      2  C   LIG    1       -1.252   0.048  -1.348  0.00  0.00    +0.101 C 
ATOM      3  C   LIG    1       -2.437  -0.372  -0.448  0.00  0.00    +0.061 C 
ATOM      4  C   LIG    1       -3.286  -1.378  -1.234  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -3.020  -2.578  -1.286  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -4.287  -0.879  -2.019  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -4.480  -1.621  -2.688  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -5.504  -0.715  -1.419  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -6.457  -1.406  -1.775  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -5.671   0.397  -0.407  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -4.579   0.505   0.647  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -3.231   0.860   0.025  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -1.759  -1.080   0.745  0.00  0.00    +0.033 C 
ATOM     14  C   LIG    1       -0.333  -1.331   0.278  0.00  0.00    +0.086 C 
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1        0.438   0.998   0.141  0.00  0.00    +0.119 C 
BRANCH  15  18
ATOM     16  C   LIG    1        4.211   0.432   0.446  0.00  0.00    +0.059 A 
ATOM     17  C   LIG    1        2.926   0.581  -0.093  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        1.821   0.833   0.738  0.00  0.00    -0.033 A 
ATOM     19  C   LIG    1        2.023   0.940   2.120  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        3.300   0.794   2.664  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.392   0.540   1.831  0.00  0.00    +0.015 A 
BRANCH  16  22
ATOM     22  C   LIG    1        5.340   0.170  -0.488  0.00  0.00    +0.339 C 
ATOM     23  O   LIG    1        5.227   0.159  -1.704  0.00  0.00    -0.245 OA
BRANCH  22  25
ATOM     24  C   LIG    1        7.619  -0.320  -0.630  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1        6.489  -0.052   0.201  0.00  0.00    -0.464 OA
ENDBRANCH  22  25
ENDBRANCH  16  22
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 4