REMARK  Name = BDB048483
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.172  -0.250  -0.461  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.854  -0.406  -0.198  0.00  0.00    -0.216 NA
ATOM      3  C   LIG    1       -0.384  -1.601   0.233  0.00  0.00    +0.139 A 
ATOM      4  C   LIG    1       -1.243  -2.690   0.436  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1       -2.611  -2.539   0.163  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -3.592  -3.664   0.351  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -3.066  -1.297  -0.292  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -2.528   1.022  -0.903  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1       -1.684   1.583  -0.921  0.00  0.00    +0.155 HD
BRANCH   8  15
ATOM     10  C   LIG    1       -5.831   4.352  -2.449  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -5.107   3.154  -1.975  0.00  0.00    +0.035 A 
ATOM     12  N   LIG    1       -5.732   1.963  -1.740  0.00  0.00    -0.280 N 
ATOM     13  H   LIG    1       -6.715   1.739  -1.848  0.00  0.00    +0.189 HD
ATOM     14  N   LIG    1       -4.906   0.996  -1.316  0.00  0.00    -0.158 NA
ATOM     15  C   LIG    1       -3.703   1.572  -1.269  0.00  0.00    +0.146 A 
ATOM     16  C   LIG    1       -3.783   2.928  -1.676  0.00  0.00    +0.068 A 
ENDBRANCH   8  15
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  N   LIG    1        0.989  -1.713   0.532  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        1.378  -2.543   0.089  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.790  -0.519   0.247  0.00  0.00    +0.144 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.251  -0.737   0.655  0.00  0.00    +0.249 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.992   0.441   0.324  0.00  0.00    -0.475 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.332   0.346   0.642  0.00  0.00    +0.215 A 
ATOM     23  N   LIG    1        5.822  -0.800   1.159  0.00  0.00    -0.221 NA
ATOM     24  C   LIG    1        7.143  -0.819   1.443  0.00  0.00    +0.114 A 
ATOM     25  C   LIG    1        7.994   0.253   1.230  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        7.461   1.419   0.692  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        6.103   1.469   0.391  0.00  0.00    +0.067 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
BRANCH   4  28
ATOM     28  C   LIG    1       -0.728  -3.941   0.911  0.00  0.00    +0.103 C 
ATOM     29  N   LIG    1       -0.324  -4.971   1.265  0.00  0.00    -0.191 NA
ENDBRANCH   4  28
TORSDOF 8