REMARK  Name = BDB000466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.283  -1.362   0.557  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.286  -1.798  -0.361  0.00  0.00    -0.492 OA
BRANCH   2   7
ATOM      3  C   LIG    1       -6.650  -0.102   0.043  0.00  0.00    +0.030 C 
ATOM      4  C   LIG    1       -5.264  -0.653  -0.156  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -4.364  -0.100   0.761  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -3.017  -0.434   0.744  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -2.571  -1.359  -0.203  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -3.483  -1.916  -1.117  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -5.051   0.878   1.663  0.00  0.00    +0.036 C 
ATOM     10  C   LIG    1       -4.836  -1.567  -1.102  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -6.520   0.470   1.474  0.00  0.00    +0.013 C 
BRANCH   3  12
ATOM     12  C   LIG    1       -6.978   0.960  -1.005  0.00  0.00    +0.128 C 
BRANCH  12  14
ATOM     13  O   LIG    1       -8.833   2.317  -0.278  0.00  0.00    -0.251 OA
ATOM     14  C   LIG    1       -8.427   1.360  -0.918  0.00  0.00    +0.305 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -9.255   0.538  -1.598  0.00  0.00    -0.481 OA
ATOM     16  H   LIG    1       -8.804  -0.187  -2.071  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   3  12
ENDBRANCH   2   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.341  -0.037   0.118  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.037  -0.141  -1.239  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.110  -1.083  -1.208  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.345  -0.672  -0.798  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        4.328  -1.663  -0.848  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        5.642  -1.390  -0.453  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        6.007  -0.115   0.003  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        5.009   0.872   0.048  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        3.692   0.598  -0.346  0.00  0.00    +0.046 A 
BRANCH  23  26
ATOM     26  C   LIG    1        7.385   0.178   0.421  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        8.062  -0.618   1.347  0.00  0.00    +0.119 A 
ATOM     28  N   LIG    1        9.331  -0.406   1.773  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1        9.972   0.660   1.252  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        9.403   1.520   0.329  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        8.096   1.273  -0.088  0.00  0.00    +0.011 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10