REMARK  Name = BDB005227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.015   2.265   1.156  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        2.692   0.921   1.798  0.00  0.00    +0.104 C 
ATOM      3  N   LIG    1        2.163  -0.038   0.842  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1        2.916  -1.202   0.788  0.00  0.00    +0.248 C 
ATOM      5  O   LIG    1        2.659  -2.204   0.147  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        4.074  -1.036   1.686  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        5.143  -1.871   1.995  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        6.056  -1.396   2.961  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        5.901  -0.144   3.580  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.826   0.674   3.250  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        3.922   0.220   2.299  0.00  0.00    -0.014 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.819   0.105   0.271  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1        0.801  -0.085  -1.246  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -0.597   0.203  -1.809  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1       -1.694  -0.111  -0.875  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1       -1.339  -1.228   0.005  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -0.206  -0.817   0.950  0.00  0.00    +0.038 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -2.965  -0.365  -1.575  0.00  0.00    +0.088 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.515   0.857  -2.355  0.00  0.00    +0.003 C 
ATOM     20  C   LIG    1       -3.743   2.092  -1.465  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -4.935   1.938  -0.523  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -6.208   1.580  -1.284  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -6.020   0.349  -2.164  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -4.817   0.495  -3.095  0.00  0.00    +0.005 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  25
ATOM     25  C   LIG    1        5.445  -3.215   1.424  0.00  0.00    +0.242 C 
ATOM     26  O   LIG    1        6.319  -3.922   1.919  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1        4.769  -3.664   0.333  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1        4.933  -4.621   0.055  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        3.900  -3.241   0.010  0.00  0.00    +0.145 HD
ENDBRANCH   7  25
TORSDOF 4