REMARK  Name = BDB053448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.898   3.582   0.159  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1        0.817   2.628   0.213  0.00  0.00    -0.242 N 
ATOM      3  C   LIG    1        0.850   1.296  -0.055  0.00  0.00    +0.190 C 
ATOM      4  N   LIG    1       -0.311   0.706  -0.048  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -1.209   1.702   0.259  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1       -2.540   1.623   0.381  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -0.482   2.990   0.429  0.00  0.00    +0.271 C 
ATOM      8  O   LIG    1       -0.952   4.083   0.686  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -3.373   0.420   0.218  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -4.673   0.575  -0.291  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -5.468  -0.547  -0.410  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -6.741  -0.570  -0.889  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -7.045  -1.976  -0.780  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -5.963  -2.758  -0.233  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -5.026  -1.793  -0.036  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1       -3.766  -1.986   0.481  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -2.937  -0.865   0.613  0.00  0.00    +0.012 A 
ENDBRANCH   6   9
BRANCH   3  18
ATOM     18  N   LIG    1        1.988   0.597  -0.329  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1        1.723  -0.354  -0.582  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.088   0.558   0.620  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.056  -0.531   0.226  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        4.901  -0.361  -0.881  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        5.788  -1.372  -1.256  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.834  -2.562  -0.534  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.993  -2.746   0.561  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.105  -1.737   0.939  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 4