REMARK  Name = BDB049893
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.217  -1.053   0.014  0.00  0.00    +0.084 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.298  -1.232   0.095  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1        1.014  -0.202  -0.476  0.00  0.00    -0.302 N 
ATOM      4  H   LIG    1        0.525   0.677  -0.611  0.00  0.00    +0.150 HD
ATOM      5  O   LIG    1        0.832  -2.189   0.646  0.00  0.00    -0.275 OA
BRANCH   3   6
ATOM      6  C   LIG    1        2.469  -0.103  -0.288  0.00  0.00    +0.182 C 
BRANCH   6   7
ATOM      7  C   LIG    1        2.675   0.670   1.017  0.00  0.00    +0.327 C 
ATOM      8  O   LIG    1        2.059   1.690   1.314  0.00  0.00    -0.249 OA
BRANCH   7   9
ATOM      9  O   LIG    1        3.619   0.072   1.793  0.00  0.00    -0.467 OA
ATOM     10  C   LIG    1        3.832   0.712   3.051  0.00  0.00    +0.280 C 
ENDBRANCH   7   9
ENDBRANCH   6   7
BRANCH   6  11
ATOM     11  C   LIG    1        3.078   0.626  -1.493  0.00  0.00    +0.036 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.615   0.645  -1.630  0.00  0.00    -0.015 C 
ATOM     13  C   LIG    1        5.249  -0.735  -1.473  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1        5.291   1.661  -0.711  0.00  0.00    +0.007 C 
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -1.645  -0.044   1.102  0.00  0.00    +0.013 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.115   0.388   1.061  0.00  0.00    +0.001 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.433   1.306  -0.122  0.00  0.00    -0.000 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -5.436   2.482   0.939  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -4.919   1.658  -0.230  0.00  0.00    -0.003 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   1  20
ATOM     20  C   LIG    1       -1.909  -2.419   0.170  0.00  0.00    +0.110 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.131  -2.580  -0.710  0.00  0.00    +0.236 C 
ATOM     22  N   LIG    1       -3.845  -3.727  -0.442  0.00  0.00    -0.197 N 
ATOM     23  H   LIG    1       -3.400  -4.544  -0.035  0.00  0.00    +0.182 HD
ATOM     24  O   LIG    1       -3.474  -1.794  -1.589  0.00  0.00    -0.274 OA
BRANCH  22  25
ATOM     25  O   LIG    1       -4.910  -3.987  -1.339  0.00  0.00    -0.295 OA
ATOM     26  H   LIG    1       -4.886  -3.201  -1.929  0.00  0.00    +0.241 HD
ENDBRANCH  22  25
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 13