REMARK  Name = BDB053423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.122  -0.479   1.507  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.531   0.084   0.609  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.042   0.673  -0.664  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.302   0.690  -1.117  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.012   1.260  -1.342  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.059   1.033  -0.602  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1       -0.797   0.349   0.536  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.444   0.149   1.278  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.482   0.107  -0.474  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        4.561   0.943  -0.153  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        5.677   0.369   0.420  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        6.804   1.031   0.797  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        7.591  -0.057   1.327  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        6.936  -1.339   1.235  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        5.753  -0.980   0.669  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        4.718  -1.833   0.357  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.572  -1.280  -0.226  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.301   1.488  -0.917  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -2.315   2.077  -1.744  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.558   0.935  -0.607  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -3.733  -0.378  -0.146  0.00  0.00    +0.072 A 
ATOM     22  C   LIG    1       -5.008  -0.800   0.173  0.00  0.00    +0.168 A 
ATOM     23  O   LIG    1       -5.342  -2.041   0.621  0.00  0.00    -0.453 OA
ATOM     24  C   LIG    1       -6.770  -1.900   0.775  0.00  0.00    +0.466 C 
ATOM     25  O   LIG    1       -7.256  -0.588   0.422  0.00  0.00    -0.453 OA
ATOM     26  C   LIG    1       -6.100   0.025   0.058  0.00  0.00    +0.166 A 
ATOM     27  C   LIG    1       -5.977   1.321  -0.384  0.00  0.00    +0.051 A 
ATOM     28  C   LIG    1       -4.694   1.774  -0.715  0.00  0.00    +0.027 A 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3