REMARK  Name = BDB030314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.682  -0.635  -2.151  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.954  -0.582  -0.958  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1        1.068  -0.619   0.103  0.00  0.00    -0.282 N 
ATOM      4  H   LIG    1        1.438  -0.423   1.023  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        3.386  -0.418  -0.576  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        4.215   0.330  -1.422  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        5.560   0.499  -1.097  0.00  0.00    +0.051 A 
ATOM      8  N   LIG    1        6.381   1.262  -1.954  0.00  0.00    -0.322 N 
ATOM      9  H   LIG    1        5.995   1.671  -2.795  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        7.726   1.504  -1.748  0.00  0.00    +0.257 A 
ATOM     11  C   LIG    1        8.302   0.915  -0.544  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        7.520   0.163   0.314  0.00  0.00    +0.034 A 
ATOM     13  S   LIG    1        8.405  -0.418   1.647  0.00  0.00    -0.096 S 
ATOM     14  C   LIG    1        9.845   0.325   1.096  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        9.653   1.006  -0.086  0.00  0.00    +0.021 A 
ATOM     16  O   LIG    1        8.379   2.178  -2.539  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        6.098  -0.082   0.071  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        5.267  -0.844   0.900  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        3.917  -1.016   0.576  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1       -0.330  -0.805   0.042  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -1.030  -1.082  -1.133  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -2.419  -1.258  -1.110  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -3.134  -1.156   0.089  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1       -2.428  -0.893   1.269  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -1.040  -0.717   1.244  0.00  0.00    +0.023 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -4.633  -1.364   0.111  0.00  0.00    +0.119 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -5.367  -0.279   0.791  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -5.319   1.000   0.058  0.00  0.00    +0.107 C 
ATOM     29  C   LIG    1       -6.517   1.268  -0.833  0.00  0.00    +0.181 C 
ATOM     30  S   LIG    1       -7.979   1.436   0.166  0.00  0.00    -0.029 S 
ATOM     31  O   LIG    1       -9.079   0.828  -0.562  0.00  0.00    -0.174 OA
ATOM     32  O   LIG    1       -8.063   2.811   0.621  0.00  0.00    -0.174 OA
ATOM     33  C   LIG    1       -7.628   0.413   1.578  0.00  0.00    +0.181 C 
ATOM     34  C   LIG    1       -6.723  -0.727   1.152  0.00  0.00    +0.107 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   3  20
TORSDOF 4