REMARK  Name = BDB057906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.252  -0.418  -0.698  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1        0.882   0.773  -1.269  0.00  0.00    -0.128 NA
ATOM      3  N   LIG    1       -0.345   0.634  -1.757  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1       -0.749  -0.617  -1.479  0.00  0.00    -0.251 N 
ATOM      5  C   LIG    1        0.223  -1.323  -0.837  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.705   0.046   0.631  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        3.493   0.335   0.004  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        2.532  -0.664  -0.058  0.00  0.00    +0.093 A 
ATOM      9  N   LIG    1        2.725  -1.903   0.466  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        3.909  -2.151   1.065  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        4.921  -1.220   1.173  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        6.868   0.865   1.277  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.789   1.047   0.745  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        5.470   2.227   0.188  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.261   2.787   0.331  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -2.047  -1.089  -1.910  0.00  0.00    +0.150 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.014  -1.360  -0.756  0.00  0.00    +0.058 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.555  -0.103  -0.120  0.00  0.00    -0.046 A 
ATOM     19  C   LIG    1       -4.716   0.502  -0.622  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -5.210   1.673  -0.044  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.546   2.252   1.036  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.389   1.662   1.538  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.894   0.490   0.963  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6