REMARK  Name = BDB007296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.046  -0.059   0.850  0.00  0.00    -0.248 N 
ATOM      2  C   LIG    1        1.080   0.727   1.089  0.00  0.00    +0.276 A 
ATOM      3  O   LIG    1        1.178   1.934   0.962  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1        2.159  -0.181   1.490  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.602  -1.460   1.350  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1        2.331  -2.599   1.643  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        3.640  -2.444   2.093  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.194  -1.160   2.236  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        3.461   0.007   1.933  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        0.274  -1.449   0.864  0.00  0.00    -0.294 N 
ATOM     11  H   LIG    1       -0.332  -1.974   1.498  0.00  0.00    +0.187 HD
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -4.316   0.862  -2.737  0.00  0.00    +0.104 C 
ATOM     13  N   LIG    1       -3.204   0.811  -1.791  0.00  0.00    -0.305 NA
ATOM     14  C   LIG    1       -3.615   0.187  -0.525  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1       -2.447  -0.393   0.280  0.00  0.00    +0.042 C 
ATOM     16  C   LIG    1       -1.163   0.396   0.024  0.00  0.00    +0.111 C 
ATOM     17  C   LIG    1       -0.807   0.394  -1.473  0.00  0.00    +0.042 C 
ATOM     18  C   LIG    1       -2.028   0.165  -2.369  0.00  0.00    +0.086 C 
ENDBRANCH   1  16
BRANCH   9  19
ATOM     19  C   LIG    1        4.167   1.302   2.138  0.00  0.00    +0.242 C 
ATOM     20  O   LIG    1        5.299   1.326   2.613  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1        3.564   2.470   1.797  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        2.627   2.545   1.403  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        4.070   3.331   1.951  0.00  0.00    +0.145 HD
ENDBRANCH   9  19
TORSDOF 2