REMARK  Name = BDB005084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.058   2.613  -0.789  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.231   3.408  -2.088  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -2.235  -0.249   0.343  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -1.426   0.898   0.330  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.797   1.356  -0.846  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -0.985   0.620  -2.022  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -1.777  -0.529  -2.023  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -2.396  -0.960  -0.849  0.00  0.00    +0.023 A 
BRANCH   3   9
ATOM      9  N   LIG    1       -2.817  -0.639   1.566  0.00  0.00    -0.299 N 
ATOM     10  H   LIG    1       -2.109  -0.823   2.273  0.00  0.00    +0.154 HD
BRANCH   9  14
ATOM     11  C   LIG    1       -7.284  -2.517   0.500  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -6.046  -2.455   1.342  0.00  0.00    -0.046 A 
ATOM     13  C   LIG    1       -5.019  -1.556   1.036  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -3.860  -1.541   1.809  0.00  0.00    +0.123 A 
ATOM     15  N   LIG    1       -3.700  -2.355   2.873  0.00  0.00    -0.240 NA
ATOM     16  C   LIG    1       -4.694  -3.229   3.146  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1       -5.866  -3.323   2.416  0.00  0.00    +0.023 A 
ENDBRANCH   9  14
ENDBRANCH   3   9
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  N   LIG    1        1.329   2.390  -0.085  0.00  0.00    -0.322 N 
ATOM     19  H   LIG    1        1.145   2.016   0.842  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.354   1.615  -0.658  0.00  0.00    +0.130 A 
ATOM     21  C   LIG    1        3.563   1.441   0.054  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1        4.546   0.631  -0.548  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1        5.753   0.434   0.156  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1        5.976   1.034   1.411  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        5.011   1.843   1.988  0.00  0.00    +0.002 A 
ATOM     26  N   LIG    1        4.323   0.075  -1.759  0.00  0.00    -0.235 NA
ATOM     27  C   LIG    1        3.156   0.333  -2.359  0.00  0.00    +0.223 A 
ATOM     28  C   LIG    1        3.815   2.046   1.313  0.00  0.00    +0.013 A 
ATOM     29  N   LIG    1        2.170   1.080  -1.871  0.00  0.00    -0.220 NA
BRANCH  23  30
ATOM     30  C   LIG    1        6.878  -0.409  -0.361  0.00  0.00    +0.244 C 
ATOM     31  O   LIG    1        7.928  -0.530   0.261  0.00  0.00    -0.270 OA
ATOM     32  N   LIG    1        6.715  -1.054  -1.550  0.00  0.00    -0.325 N 
ATOM     33  H   LIG    1        5.863  -0.938  -2.092  0.00  0.00    +0.145 HD
ATOM     34  H   LIG    1        7.475  -1.608  -1.916  0.00  0.00    +0.145 HD
ENDBRANCH  23  30
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6