REMARK  Name = BDB029424
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.020  -1.673  -1.141  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        4.997  -1.155  -0.727  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1        3.703  -1.530  -1.071  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        3.509  -2.286  -1.709  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1        2.763  -0.740  -0.427  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        3.409   0.195   0.374  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.680   1.100   1.118  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        1.281   1.043   1.040  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        0.627   0.092   0.230  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        1.389  -0.816  -0.521  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        4.893   0.017   0.257  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -0.778  -0.002   0.112  0.00  0.00    -0.281 N 
ATOM     13  H   LIG    1       -1.114  -0.730  -0.504  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1       -1.728   0.719   0.815  0.00  0.00    +0.250 C 
ATOM     15  O   LIG    1       -1.523   1.520   1.718  0.00  0.00    -0.270 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -3.136   0.442   0.436  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -4.121   0.535   1.411  0.00  0.00    +0.123 A 
ATOM     18  N   LIG    1       -5.437   0.296   1.180  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1       -5.784  -0.026  -0.085  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -4.878  -0.121  -1.130  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -3.530   0.120  -0.866  0.00  0.00    +0.016 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
TORSDOF 2