REMARK  Name = BDB063949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.003   0.034   0.319  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        0.151  -0.805  -0.238  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -3.783  -0.437   0.210  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -2.280  -0.762   0.034  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -1.386   0.410   0.524  0.00  0.00    +0.037 C 
ATOM      6  C   LIG    1       -1.686   0.637   2.021  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1       -3.168   0.993   2.218  0.00  0.00    -0.007 C 
ATOM      8  C   LIG    1       -3.501   2.260   1.415  0.00  0.00    +0.007 C 
ATOM      9  C   LIG    1       -3.242   2.021  -0.081  0.00  0.00    -0.007 C 
ATOM     10  C   LIG    1       -1.759   1.667  -0.291  0.00  0.00    +0.029 C 
ATOM     11  C   LIG    1       -4.117   0.857  -0.570  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -4.036  -0.169   1.716  0.00  0.00    +0.029 C 
BRANCH   3  15
ATOM     13  C   LIG    1       -5.681  -3.178  -1.664  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -4.659  -2.087  -1.480  0.00  0.00    +0.210 C 
ATOM     15  N   LIG    1       -4.639  -1.553  -0.210  0.00  0.00    -0.310 N 
ATOM     16  H   LIG    1       -5.376  -1.840   0.422  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1       -3.940  -1.716  -2.400  0.00  0.00    -0.276 OA
ENDBRANCH   3  15
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  C   LIG    1        1.156   0.724   0.496  0.00  0.00    +0.188 C 
ATOM     19  N   LIG    1        1.229   1.929   1.103  0.00  0.00    -0.253 N 
ATOM     20  H   LIG    1        0.483   2.472   1.494  0.00  0.00    +0.158 HD
ATOM     21  C   LIG    1        2.521   2.340   1.121  0.00  0.00    +0.269 C 
ATOM     22  O   LIG    1        2.983   3.365   1.582  0.00  0.00    -0.268 OA
ATOM     23  C   LIG    1        3.221   1.220   0.439  0.00  0.00    +0.130 C 
ATOM     24  C   LIG    1        4.547   1.221   0.257  0.00  0.00    +0.041 C 
ATOM     25  N   LIG    1        2.300   0.259   0.084  0.00  0.00    -0.213 NA
BRANCH  24  26
ATOM     26  C   LIG    1        5.348   0.167  -0.387  0.00  0.00    -0.022 A 
ATOM     27  C   LIG    1        6.650  -0.058   0.090  0.00  0.00    +0.025 A 
ATOM     28  C   LIG    1        7.444  -1.038  -0.534  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        6.981  -1.783  -1.620  0.00  0.00    +0.078 A 
ATOM     30  N   LIG    1        7.876  -2.711  -2.130  0.00  0.00    -0.247 NA
ATOM     31  C   LIG    1        8.992  -2.666  -1.440  0.00  0.00    +0.157 A 
ATOM     32  C   LIG    1        5.682  -1.537  -2.099  0.00  0.00    +0.029 A 
ATOM     33  S   LIG    1        9.053  -1.532  -0.159  0.00  0.00    -0.075 S 
ATOM     34  C   LIG    1        4.883  -0.564  -1.484  0.00  0.00    +0.010 A 
ENDBRANCH  24  26
ENDBRANCH   1  18
TORSDOF 4