REMARK  Name = BDB056495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.904  -0.704   2.204  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -1.350  -1.258   1.204  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -0.750  -1.205  -0.033  0.00  0.00    -0.315 N 
ATOM      4  H   LIG    1       -1.232  -1.613  -0.829  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.459  -0.439  -0.268  0.00  0.00    +0.109 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.710  -1.169   0.224  0.00  0.00    +0.054 C 
BRANCH   6   7
ATOM      7  C   LIG    1        2.963  -0.377  -0.055  0.00  0.00    -0.042 A 
ATOM      8  C   LIG    1        3.683  -0.578  -1.241  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        4.826   0.177  -1.507  0.00  0.00    +0.162 A 
ATOM     10  O   LIG    1        5.461  -0.067  -2.698  0.00  0.00    -0.485 OA
ATOM     11  C   LIG    1        6.394   0.974  -3.013  0.00  0.00    +0.270 C 
ATOM     12  C   LIG    1        7.230   1.332  -1.796  0.00  0.00    +0.270 C 
ATOM     13  O   LIG    1        6.406   1.874  -0.758  0.00  0.00    -0.485 OA
ATOM     14  C   LIG    1        5.274   1.121  -0.578  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1        4.555   1.341   0.594  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        3.403   0.596   0.855  0.00  0.00    +0.007 A 
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  17
ATOM     17  C   LIG    1       -2.620  -2.068   1.238  0.00  0.00    +0.153 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.749  -1.402   0.484  0.00  0.00    +0.078 A 
ATOM     19  C   LIG    1       -4.516  -0.300   1.115  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1       -5.553   0.258   0.371  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -6.329   1.299   0.895  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -6.060   1.787   2.173  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.018   1.238   2.919  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.819  -0.252  -0.984  0.00  0.00    +0.272 A 
ATOM     25  O   LIG    1       -6.726   0.201  -1.673  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -4.991  -1.256  -1.426  0.00  0.00    -0.242 N 
ATOM     27  H   LIG    1       -5.168  -1.623  -2.356  0.00  0.00    +0.192 HD
ATOM     28  C   LIG    1       -4.244   0.197   2.396  0.00  0.00    +0.010 A 
ATOM     29  N   LIG    1       -3.981  -1.832  -0.722  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 5