REMARK  Name = BDB046040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.759  -0.730   1.928  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -2.096   0.186   1.180  0.00  0.00    +0.233 C 
ATOM      3  N   LIG    1       -1.389   0.537   0.049  0.00  0.00    -0.305 N 
ATOM      4  H   LIG    1       -1.583   1.465  -0.329  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.053   0.016  -0.175  0.00  0.00    +0.200 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.001   0.945   0.454  0.00  0.00    +0.233 C 
ATOM      7  N   LIG    1        2.320   0.515   0.410  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1        3.381   1.387   0.921  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1        4.639   1.382   0.032  0.00  0.00    +0.127 C 
ATOM     10  N   LIG    1        5.070   0.021  -0.306  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        4.236  -1.099   0.115  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        2.749  -0.780  -0.133  0.00  0.00    +0.127 C 
ATOM     13  O   LIG    1        0.684   2.037   0.932  0.00  0.00    -0.274 OA
BRANCH  10  14
ATOM     14  C   LIG    1        6.424  -0.197  -0.467  0.00  0.00    +0.218 A 
ATOM     15  N   LIG    1        6.892  -1.456  -0.394  0.00  0.00    -0.223 NA
ATOM     16  C   LIG    1        8.213  -1.646  -0.575  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1        9.097  -0.632  -0.831  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        8.538   0.617  -0.891  0.00  0.00    +0.116 A 
ATOM     19  N   LIG    1        7.224   0.854  -0.715  0.00  0.00    -0.223 NA
ENDBRANCH  10  14
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -3.333   1.045   1.451  0.00  0.00    +0.222 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -4.342   0.893   0.392  0.00  0.00    -0.289 N 
ATOM     22  C   LIG    1       -4.209   1.747  -0.696  0.00  0.00    +0.330 A 
ATOM     23  O   LIG    1       -3.271   2.531  -0.840  0.00  0.00    -0.246 OA
ATOM     24  N   LIG    1       -5.175   1.661  -1.650  0.00  0.00    -0.275 N 
ATOM     25  H   LIG    1       -5.059   2.244  -2.464  0.00  0.00    +0.173 HD
ATOM     26  C   LIG    1       -6.144   0.712  -1.706  0.00  0.00    +0.258 A 
ATOM     27  O   LIG    1       -6.863   0.587  -2.693  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -6.272  -0.175  -0.523  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -7.453  -1.101  -0.599  0.00  0.00    +0.111 C 
ATOM     30  S   LIG    1       -7.912  -1.834   0.993  0.00  0.00    -0.155 S 
ATOM     31  C   LIG    1       -6.245  -2.256   1.539  0.00  0.00    +0.075 C 
ATOM     32  C   LIG    1       -5.393  -0.996   1.675  0.00  0.00    +0.064 C 
ATOM     33  C   LIG    1       -5.358  -0.071   0.466  0.00  0.00    +0.034 A 
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 5