REMARK  Name = BDB014666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.818   0.536   1.567  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -1.407  -0.369   0.845  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.068  -0.521   0.534  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.174  -1.057  -0.292  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.890   0.518   0.879  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.330  -0.006   0.772  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        2.513  -0.532  -0.550  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        3.374  -0.986  -0.546  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1        3.332   1.132   1.081  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1        4.772   0.831   1.065  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        5.389   0.960  -0.261  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        6.859   0.592  -0.295  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        7.462  -0.112   0.762  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        8.819  -0.453   0.689  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        9.569  -0.122  -0.439  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        8.972   0.559  -1.497  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.665  -0.437   1.999  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        7.624   0.914  -1.427  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        5.153  -0.407   1.742  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       -2.312  -1.447   0.245  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.559  -0.876  -0.119  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.568  -1.717  -0.502  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -5.835  -1.125  -0.680  0.00  0.00    -0.001 A 
ATOM     24  C   LIG    1       -6.915  -1.941  -1.067  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -6.743  -3.308  -1.281  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.488  -3.880  -1.113  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.404  -3.089  -0.726  0.00  0.00    +0.046 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -6.093   0.364  -0.476  0.00  0.00    +0.036 C 
ATOM     29  C   LIG    1       -5.312   1.254  -1.464  0.00  0.00    +0.089 C 
ATOM     30  N   LIG    1       -5.691   2.673  -1.392  0.00  0.00    -0.315 NA
ATOM     31  H   LIG    1       -6.486   2.852  -2.005  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -6.019   3.127  -0.037  0.00  0.00    +0.081 C 
ATOM     33  C   LIG    1       -5.401   2.272   1.065  0.00  0.00    +0.016 C 
ATOM     34  C   LIG    1       -5.884   0.822   0.982  0.00  0.00    +0.011 C 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9