REMARK  Name = BDB049895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.450   0.062   0.551  0.00  0.00    +0.217 C 
ATOM      2  N   LIG    1        0.392  -0.140  -0.521  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -0.044  -0.354  -1.410  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -0.108   0.667   1.562  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -1.845  -0.532   0.372  0.00  0.00    +0.083 C 
BRANCH   5   7
ATOM      6  C   LIG    1       -2.915   1.703  -0.364  0.00  0.00    +0.004 C 
ATOM      7  C   LIG    1       -2.649   0.240  -0.694  0.00  0.00    +0.010 C 
ENDBRANCH   5   7
BRANCH   5   8
ATOM      8  C   LIG    1       -2.549  -0.616   1.735  0.00  0.00    +0.110 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.731  -1.558   1.729  0.00  0.00    +0.236 C 
ATOM     10  N   LIG    1       -4.481  -1.499   2.882  0.00  0.00    -0.197 N 
ATOM     11  H   LIG    1       -4.079  -1.190   3.762  0.00  0.00    +0.182 HD
ATOM     12  O   LIG    1       -4.011  -2.322   0.809  0.00  0.00    -0.274 OA
BRANCH  10  13
ATOM     13  O   LIG    1       -5.506  -2.471   2.977  0.00  0.00    -0.295 OA
ATOM     14  H   LIG    1       -5.440  -2.934   2.112  0.00  0.00    +0.241 HD
ENDBRANCH  10  13
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   5
BRANCH   2  15
ATOM     15  C   LIG    1        1.675   0.561  -0.596  0.00  0.00    +0.182 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.423   1.905  -1.294  0.00  0.00    +0.327 C 
ATOM     17  O   LIG    1        0.523   2.107  -2.103  0.00  0.00    -0.249 OA
BRANCH  16  18
ATOM     18  O   LIG    1        2.365   2.819  -0.925  0.00  0.00    -0.467 OA
ATOM     19  C   LIG    1        2.197   4.102  -1.529  0.00  0.00    +0.280 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
BRANCH  15  20
ATOM     20  C   LIG    1        2.708  -0.234  -1.407  0.00  0.00    +0.036 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.355  -1.445  -0.701  0.00  0.00    -0.015 C 
ATOM     22  C   LIG    1        2.359  -2.553  -0.361  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1        4.147  -1.039   0.542  0.00  0.00    +0.007 C 
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH   2  15
TORSDOF 10