REMARK  Name = BDB005228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.009   3.209   0.151  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        2.647   1.872  -0.209  0.00  0.00    +0.104 C 
ATOM      3  N   LIG    1        1.925   0.743   0.354  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1        2.715  -0.029   1.192  0.00  0.00    +0.248 C 
ATOM      5  O   LIG    1        2.388  -1.049   1.768  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        4.056   0.585   1.245  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        5.216   0.240   1.931  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        6.336   1.079   1.738  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        6.292   2.198   0.891  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.121   2.520   0.213  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        4.009   1.712   0.404  0.00  0.00    -0.014 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.583   0.374  -0.110  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1       -0.428   0.284   1.036  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -1.817  -0.069   0.500  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1       -1.779  -1.294  -0.294  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1       -0.834  -1.250  -1.406  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        0.579  -0.925  -0.920  0.00  0.00    +0.038 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.097  -1.851  -0.628  0.00  0.00    +0.088 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.804  -1.414  -1.940  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1       -4.166   0.077  -2.015  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -5.206   0.485  -0.967  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1       -6.319  -0.512  -0.832  0.00  0.00    -0.031 C 
ATOM     23  C   LIG    1       -6.275  -1.737  -1.377  0.00  0.00    -0.031 C 
ATOM     24  C   LIG    1       -5.092  -2.248  -2.149  0.00  0.00    +0.031 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  25
ATOM     25  C   LIG    1        5.424  -0.912   2.854  0.00  0.00    +0.242 C 
ATOM     26  O   LIG    1        6.432  -0.977   3.554  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1        4.508  -1.913   2.917  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1        3.578  -1.849   2.503  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        4.641  -2.624   3.622  0.00  0.00    +0.145 HD
ENDBRANCH   7  25
TORSDOF 4