REMARK  Name = BDB030269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.518  -1.338   0.398  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.432  -0.681   0.965  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.821  -1.397   1.132  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1       -1.764  -0.392   1.705  0.00  0.00    +0.022 C 
ATOM      5  C   LIG    1       -2.126   0.869   0.951  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1       -1.006   0.861   1.968  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1        0.415   0.657   1.547  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1        1.388  -2.491  -0.024  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1        4.992  -0.290  -0.181  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        4.402   0.773   0.442  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1        4.825   1.660   0.695  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1        3.108   0.581   0.740  0.00  0.00    -0.169 NA
ATOM     13  C   LIG    1        2.832  -0.660   0.295  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1        3.997  -1.236  -0.289  0.00  0.00    +0.057 A 
BRANCH   9  16
ATOM     15  C   LIG    1        7.215  -1.375   0.126  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        6.430  -0.281  -0.597  0.00  0.00    +0.031 C 
ATOM     17  C   LIG    1        6.561  -0.432  -2.113  0.00  0.00    +0.014 C 
ENDBRANCH   9  16
ENDBRANCH   1  13
BRANCH   5  18
ATOM     18  C   LIG    1       -3.458   1.598   1.307  0.00  0.00    +0.142 A 
ATOM     19  N   LIG    1       -4.673   1.581   0.637  0.00  0.00    -0.285 N 
ATOM     20  C   LIG    1       -5.431   2.501   1.327  0.00  0.00    +0.229 A 
ATOM     21  N   LIG    1       -4.759   3.011   2.331  0.00  0.00    -0.138 NA
ATOM     22  N   LIG    1       -3.517   2.444   2.317  0.00  0.00    -0.134 NA
BRANCH  19  23
ATOM     23  C   LIG    1       -5.095   0.825  -0.495  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -6.248   1.207  -1.203  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1       -6.676   0.477  -2.316  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.965  -0.644  -2.733  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.829  -1.038  -2.034  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.395  -0.310  -0.921  0.00  0.00    +0.026 A 
ENDBRANCH  19  23
ENDBRANCH   5  18
TORSDOF 4