REMARK  Name = BDB011622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.445   0.004  -1.152  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.724   0.175  -0.444  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.602   0.380   0.549  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.529  -0.098  -2.371  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.015   0.243  -0.885  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.080   0.726   0.046  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -2.879   0.955   1.230  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.273   0.786  -0.674  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -4.033   0.224  -1.963  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -4.677   0.950  -3.066  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -2.656  -0.060  -2.027  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.101  -0.707  -3.255  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.578   0.568  -0.049  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -5.720  -0.850   0.539  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -6.769  -0.945   1.651  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -7.886   0.073   1.472  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -7.359   1.510   1.487  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -5.913   1.637   0.998  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        3.537  -0.230  -2.061  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        3.013  -0.134  -0.674  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        3.726  -0.130   0.523  0.00  0.00    +0.167 A 
ATOM     22  O   LIG    1        2.810   0.052   1.531  0.00  0.00    -0.354 OA
ATOM     23  N   LIG    1        1.531   0.111   1.037  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1        1.640  -0.011  -0.293  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1        5.131  -0.242   0.805  0.00  0.00    -0.006 C 
ATOM     26  C   LIG    1        5.810   0.641   1.838  0.00  0.00    +0.039 C 
ATOM     27  C   LIG    1        7.179   0.136   2.298  0.00  0.00    +0.008 C 
ATOM     28  C   LIG    1        8.020  -0.322   1.104  0.00  0.00    -0.010 C 
ATOM     29  C   LIG    1        9.414  -0.762   1.546  0.00  0.00    +0.008 C 
ATOM     30  C   LIG    1        7.300  -1.454   0.359  0.00  0.00    +0.031 C 
ATOM     31  C   LIG    1        5.830  -1.205   0.169  0.00  0.00    -0.019 C 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4