REMARK  Name = BDB048378
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.035   0.306  -0.423  0.00  0.00    +0.150 A 
ATOM      2  C   LIG    1       -1.382   0.235  -0.324  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -2.268  -0.352   0.714  0.00  0.00    +0.148 C 
ATOM      4  N   LIG    1       -3.681  -0.312   0.284  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -4.120   0.852  -0.523  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -3.273   1.059  -1.799  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -4.554  -1.105   1.018  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -4.168  -1.860   1.911  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -6.020  -1.024   0.677  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -1.851   0.880  -1.445  0.00  0.00    +0.044 A 
ATOM     11  N   LIG    1       -0.762   1.280  -2.144  0.00  0.00    -0.279 N 
ATOM     12  H   LIG    1       -0.715   1.775  -3.029  0.00  0.00    +0.189 HD
ATOM     13  N   LIG    1        0.389   0.955  -1.540  0.00  0.00    -0.158 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1        0.847  -0.234   0.519  0.00  0.00    -0.298 N 
ATOM     15  H   LIG    1        0.404  -0.738   1.277  0.00  0.00    +0.154 HD
BRANCH  14  18
ATOM     16  C   LIG    1        4.525   0.338  -0.051  0.00  0.00    +0.122 A 
ATOM     17  C   LIG    1        3.134   0.392  -0.227  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1        2.255  -0.254   0.651  0.00  0.00    +0.036 A 
ATOM     19  C   LIG    1        2.816  -0.967   1.724  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        4.199  -1.028   1.909  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        5.054  -0.375   1.022  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1        6.663   0.988  -0.867  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        5.248   1.023  -0.991  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  14  18
ENDBRANCH   1  14
TORSDOF 3