REMARK  Name = BDB030259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.001  -0.532   1.353  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1        0.194  -1.545   0.857  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.364  -2.261  -0.401  0.00  0.00    +0.113 C 
ATOM      4  C   LIG    1       -0.869  -3.108  -0.516  0.00  0.00    +0.027 C 
ATOM      5  C   LIG    1       -2.272  -2.516  -0.632  0.00  0.00    +0.053 C 
ATOM      6  C   LIG    1       -3.328  -3.420  -1.224  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -1.685  -2.929   0.719  0.00  0.00    +0.027 C 
ATOM      8  C   LIG    1       -0.944  -1.999   1.628  0.00  0.00    +0.113 C 
ATOM      9  O   LIG    1        0.719   0.032   2.413  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1        3.982   0.967  -0.059  0.00  0.00    -0.334 N 
ATOM     11  C   LIG    1        2.978   0.973   0.867  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        2.200  -0.140   0.594  0.00  0.00    +0.143 A 
ATOM     13  N   LIG    1        2.751  -0.825  -0.479  0.00  0.00    -0.231 NA
ATOM     14  C   LIG    1        3.805  -0.134  -0.847  0.00  0.00    +0.200 A 
BRANCH  10  16
ATOM     15  C   LIG    1        4.510   3.333  -0.528  0.00  0.00    +0.030 C 
ATOM     16  C   LIG    1        5.054   1.944  -0.197  0.00  0.00    +0.082 C 
ATOM     17  C   LIG    1        5.950   1.976   1.041  0.00  0.00    +0.030 C 
ENDBRANCH  10  16
ENDBRANCH   1  12
BRANCH   5  18
ATOM     18  C   LIG    1       -2.393  -1.065  -1.000  0.00  0.00    +0.220 C 
ATOM     19  N   LIG    1       -3.145  -0.327  -0.120  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -3.490  -0.807   0.700  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -1.877  -0.650  -2.027  0.00  0.00    -0.275 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.316   1.129  -0.185  0.00  0.00    +0.026 C 
ATOM     23  C   LIG    1       -1.962   1.841  -0.034  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -3.992   1.551  -1.500  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1       -4.224   1.555   0.983  0.00  0.00    +0.031 C 
ENDBRANCH  19  22
ENDBRANCH   5  18
TORSDOF 4