REMARK  Name = BDB014606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.906  -1.900  -3.641  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        1.514  -0.886  -3.068  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1        0.289  -0.380  -3.393  0.00  0.00    -0.313 N 
ATOM      4  H   LIG    1       -0.158  -0.874  -4.158  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.365   0.831  -2.908  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.631   0.529  -2.081  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -2.475  -0.338  -2.852  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -2.038  -1.209  -2.872  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -1.288  -0.098  -0.706  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -2.345  -0.169   0.316  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -3.514  -0.962  -0.094  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -4.571  -1.054   0.990  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -4.642  -0.084   2.007  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -5.651  -0.164   2.976  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -6.599  -1.185   2.922  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.543  -2.136   1.905  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.594   0.997   2.091  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -5.537  -2.069   0.941  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -2.783   1.147   0.795  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        2.323  -0.171  -2.014  0.00  0.00    +0.105 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.638  -0.893  -1.738  0.00  0.00    +0.105 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.435  -0.200  -0.694  0.00  0.00    +0.197 A 
ATOM     23  O   LIG    1        5.640  -0.773  -0.381  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        6.150   0.046   0.583  0.00  0.00    +0.155 A 
ATOM     25  C   LIG    1        5.236   1.064   0.803  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1        5.530   2.044   1.759  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1        6.747   1.948   2.452  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        7.645   0.903   2.198  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.364  -0.086   1.247  0.00  0.00    +0.048 A 
ATOM     30  N   LIG    1        4.148   0.897  -0.017  0.00  0.00    -0.213 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8