REMARK  Name = BDB032306
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.410   1.010  -1.786  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -0.587   0.064  -1.596  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1       -1.650   0.225  -0.772  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1       -1.757   1.375  -0.082  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -0.802   2.384  -0.220  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        0.284   2.202  -1.075  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -2.860   1.602   0.765  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1       -3.502   0.397   1.390  0.00  0.00    +0.148 C 
ATOM      9  C   LIG    1       -4.790   0.005   0.733  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -5.616   1.011   0.331  0.00  0.00    -0.265 N 
ATOM     11  N   LIG    1       -6.766   0.600  -0.224  0.00  0.00    -0.179 NA
ATOM     12  C   LIG    1       -6.661  -0.734  -0.171  0.00  0.00    +0.134 A 
ATOM     13  C   LIG    1       -5.256   2.405   0.466  0.00  0.00    +0.162 C 
ATOM     14  C   LIG    1       -5.450  -1.161   0.418  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -3.785   2.558   0.081  0.00  0.00    +0.130 C 
BRANCH   8  16
ATOM     16  C   LIG    1       -2.563  -0.797   1.698  0.00  0.00    +0.184 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -3.045  -1.561   2.815  0.00  0.00    -0.393 OA
ATOM     18  H   LIG    1       -2.410  -2.287   2.940  0.00  0.00    +0.209 HD
ENDBRANCH  16  17
ENDBRANCH   8  16
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1        1.555   0.755  -2.728  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.841   0.738  -2.037  0.00  0.00    -0.339 N 
ATOM     21  H   LIG    1        3.006   1.618  -1.563  0.00  0.00    +0.146 HD
BRANCH  20  25
ATOM     22  C   LIG    1        5.940  -1.090   1.288  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1        4.836  -1.288   0.419  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        4.401  -0.198  -0.379  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        3.264  -0.345  -1.242  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1        2.678  -1.614  -1.357  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        3.108  -2.687  -0.582  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        5.139   0.998  -0.277  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        6.208   1.080   0.595  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1        4.163  -2.522   0.306  0.00  0.00    +0.012 A 
ATOM     31  N   LIG    1        6.611   0.070   1.380  0.00  0.00    -0.240 NA
BRANCH  22  32
ATOM     32  N   LIG    1        6.421  -2.124   2.110  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        6.731  -2.894   1.525  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        5.674  -2.449   2.713  0.00  0.00    +0.144 HD
ENDBRANCH  22  32
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7