REMARK  Name = BDB050334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.805   1.241  -0.532  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.480   0.795  -0.396  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.542   1.042  -1.405  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1       -0.933   1.734  -2.556  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.245   2.186  -2.695  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.177   1.942  -1.687  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.859   0.573  -1.292  0.00  0.00    +0.091 C 
ATOM      8  C   LIG    1        1.392  -0.051  -0.049  0.00  0.00    +0.106 C 
ATOM      9  C   LIG    1        2.869   0.046  -0.364  0.00  0.00    +0.211 C 
ATOM     10  O   LIG    1        2.927   0.094  -1.797  0.00  0.00    -0.390 OA
ATOM     11  N   LIG    1        1.711   0.646  -2.266  0.00  0.00    -0.089 NA
BRANCH   9  12
ATOM     12  C   LIG    1        3.527   1.302   0.228  0.00  0.00    +0.052 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.998   1.464  -0.172  0.00  0.00    +0.039 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.894   0.395   0.403  0.00  0.00    -0.047 A 
ATOM     15  C   LIG    1        6.261   0.424   1.755  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        7.078  -0.575   2.288  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.533  -1.611   1.475  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        7.174  -1.650   0.130  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.358  -0.651  -0.405  0.00  0.00    +0.003 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  C   LIG    1       -3.829   0.945   0.540  0.00  0.00    +0.078 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.797  -0.192   0.172  0.00  0.00    +0.230 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.061  -1.540   0.307  0.00  0.00    +0.334 C 
ATOM     23  O   LIG    1       -4.131  -2.282   1.276  0.00  0.00    -0.248 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -3.308  -1.863  -0.774  0.00  0.00    -0.479 OA
ATOM     25  H   LIG    1       -3.299  -1.195  -1.488  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
BRANCH  21  26
ATOM     26  O   LIG    1       -5.927  -0.049   1.038  0.00  0.00    -0.365 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -8.153  -0.637   1.657  0.00  0.00    +0.034 C 
ATOM     28  C   LIG    1       -7.010  -0.914   0.701  0.00  0.00    +0.157 C 
ENDBRANCH  26  28
ENDBRANCH  21  26
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 10