REMARK  Name = BDB007293
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.603   0.391  -2.731  0.00  0.00    +0.171 C 
ATOM      2  N   LIG    1        2.349   0.359  -1.465  0.00  0.00    -0.283 N 
ATOM      3  N   LIG    1        1.876  -0.608  -0.524  0.00  0.00    -0.246 N 
ATOM      4  C   LIG    1        2.876  -1.488  -0.129  0.00  0.00    +0.276 A 
ATOM      5  O   LIG    1        2.793  -2.360   0.719  0.00  0.00    -0.266 OA
ATOM      6  C   LIG    1        4.080  -1.142  -0.889  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1        5.361  -1.677  -0.942  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        6.272  -1.042  -1.812  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        5.906   0.075  -2.581  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        4.613   0.586  -2.505  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        3.700  -0.032  -1.662  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.671  -0.370   0.270  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1       -0.522  -1.137  -0.297  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1       -1.764  -0.906   0.561  0.00  0.00    +0.087 C 
ATOM     15  N   LIG    1       -2.097   0.533   0.670  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -0.966   1.250   1.290  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1        0.315   1.103   0.467  0.00  0.00    +0.042 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.386   0.715   1.400  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1       -4.595   0.261   0.532  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1       -5.445   1.417   0.014  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -6.017   2.256   1.153  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -5.068   2.374   2.344  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -3.617   2.154   1.930  0.00  0.00    +0.019 C 
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  24
ATOM     24  C   LIG    1        5.888  -2.852  -0.192  0.00  0.00    +0.242 C 
ATOM     25  O   LIG    1        7.049  -3.221  -0.343  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1        5.085  -3.531   0.669  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        4.126  -3.269   0.892  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        5.486  -4.304   1.182  0.00  0.00    +0.145 HD
ENDBRANCH   7  24
TORSDOF 3