REMARK  Name = BDB029494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.110  -3.118   1.102  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.299  -2.251   0.790  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -4.215  -1.077   1.493  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -4.947  -0.987   2.187  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -3.845   0.119   0.932  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -4.378   1.165   1.290  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.768   0.043  -0.135  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -1.395  -0.110   0.539  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -0.465   0.418  -0.456  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -1.128   1.334  -1.372  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1       -2.580   1.369  -0.890  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -3.115  -1.104  -1.098  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -3.338  -2.418  -0.361  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1        0.853   0.448  -0.166  0.00  0.00    +0.197 A 
ATOM     15  N   LIG    1        1.768   1.022  -1.011  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        1.551   1.453  -1.893  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        3.018   0.884  -0.462  0.00  0.00    +0.068 A 
ATOM     18  C   LIG    1        2.788   0.198   0.725  0.00  0.00    +0.093 A 
ATOM     19  C   LIG    1        3.864  -0.124   1.561  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1        5.149   0.270   1.151  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1        5.358   0.962  -0.054  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        4.284   1.285  -0.891  0.00  0.00    +0.030 A 
ATOM     23  N   LIG    1        1.452  -0.067   0.884  0.00  0.00    -0.214 NA
BRANCH  20  24
ATOM     24  N   LIG    1        6.299  -0.053   2.005  0.00  0.00    +0.056 N 
ATOM     25  O   LIG    1        7.421   0.307   1.620  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1        6.084  -0.665   3.060  0.00  0.00    -0.126 OA
ENDBRANCH  20  24
ENDBRANCH   9  14
TORSDOF 2