REMARK  Name = BDB033088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.066  -0.238  -0.759  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        0.964  -1.262  -1.685  0.00  0.00    +0.217 C 
ATOM      3  O   LIG    1        1.878  -1.787  -2.300  0.00  0.00    -0.276 OA
ATOM      4  C   LIG    1       -0.495  -1.598  -1.855  0.00  0.00    +0.119 C 
ATOM      5  C   LIG    1       -1.144  -0.979  -0.618  0.00  0.00    +0.099 C 
ATOM      6  C   LIG    1       -0.227   0.201  -0.290  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -2.533  -0.624  -0.838  0.00  0.00    -0.306 N 
ATOM      8  H   LIG    1       -3.041  -1.043  -1.614  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -3.301  -0.052   0.151  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -2.818   0.328   1.214  0.00  0.00    -0.270 OA
BRANCH   9  11
ATOM     11  C   LIG    1       -4.767   0.096  -0.118  0.00  0.00    +0.078 A 
ATOM     12  C   LIG    1       -5.424  -0.415  -1.248  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1       -6.797  -0.218  -1.421  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -7.530   0.484  -0.462  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -6.902   0.986   0.681  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1       -7.680   1.769   1.698  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -5.522   0.798   0.839  0.00  0.00    +0.020 A 
BRANCH  12  18
ATOM     18  O   LIG    1       -4.739  -1.119  -2.206  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1       -5.365  -1.388  -2.902  0.00  0.00    +0.292 HD
ENDBRANCH  12  18
ENDBRANCH   9  11
ENDBRANCH   5   7
BRANCH   1  20
ATOM     20  C   LIG    1        2.296   0.474  -0.448  0.00  0.00    +0.113 C 
BRANCH  20  25
ATOM     21  C   LIG    1        7.455   1.125  -0.363  0.00  0.00    +0.109 C 
ATOM     22  C   LIG    1        6.151   1.603   0.223  0.00  0.00    +0.212 C 
ATOM     23  N   LIG    1        5.224   0.633   0.597  0.00  0.00    -0.301 N 
ATOM     24  C   LIG    1        4.016   1.085   1.287  0.00  0.00    +0.112 C 
ATOM     25  C   LIG    1        2.796   0.206   0.984  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1        3.139  -1.270   1.244  0.00  0.00    +0.008 C 
ATOM     27  C   LIG    1        4.393  -1.706   0.492  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1        5.571  -0.778   0.775  0.00  0.00    +0.108 C 
ATOM     29  O   LIG    1        5.936   2.811   0.339  0.00  0.00    -0.276 OA
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 5