REMARK  Name = BDB014511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.472  -2.765   2.055  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.354  -1.659   1.237  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.152  -1.021   1.250  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.188  -3.792   1.912  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.473  -2.598   3.204  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.632  -1.820   2.925  0.00  0.00    -0.481 OA
BRANCH   6  15
ATOM      7  C   LIG    1        3.483   0.503  -0.331  0.00  0.00    +0.122 A 
ATOM      8  N   LIG    1        3.173  -0.293   0.719  0.00  0.00    -0.228 NA
ATOM      9  C   LIG    1        3.717  -1.531   0.830  0.00  0.00    +0.115 A 
ATOM     10  C   LIG    1        4.562  -2.056  -0.163  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        5.104  -3.348  -0.039  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        4.824  -4.127   1.080  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        3.995  -3.624   2.076  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        4.851  -1.251  -1.265  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        3.436  -2.348   1.936  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        4.318   0.034  -1.340  0.00  0.00    +0.044 A 
BRANCH   7  18
ATOM     17  C   LIG    1        2.271   2.222   0.842  0.00  0.00    +0.130 C 
ATOM     18  N   LIG    1        2.999   1.819  -0.358  0.00  0.00    -0.321 N 
ATOM     19  C   LIG    1        2.447   2.284  -1.626  0.00  0.00    +0.130 C 
ENDBRANCH   7  18
ENDBRANCH   6  15
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  20
ATOM     20  C   LIG    1       -0.431  -1.742   0.019  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -0.586  -0.393  -0.696  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -0.970  -0.572  -2.065  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -0.354  -1.213  -2.459  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -1.542   0.589   0.027  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -2.882   0.064   0.361  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -3.782  -0.021  -0.804  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -4.358   1.304  -1.265  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -4.452   2.397  -0.384  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -5.027   3.597  -0.821  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.526   3.706  -2.119  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.449   2.622  -2.990  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.873   2.300   1.006  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -4.871   1.425  -2.564  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -3.543   0.856   1.413  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9