REMARK  Name = BDB014538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.122   1.552   3.489  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -0.881   1.021   3.025  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.945  -0.309   2.671  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1       -1.851  -0.664   2.378  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.121  -1.254   2.941  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.464  -0.951   2.261  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        2.377  -2.022   2.552  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        3.078  -1.933   1.873  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1        1.336  -0.832   0.727  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1        2.669  -0.739   0.084  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        2.554  -1.062  -1.354  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        3.836  -0.846  -2.128  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        4.844   0.000  -1.635  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        6.012   0.205  -2.382  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        6.166  -0.405  -3.623  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.160  -1.225  -4.128  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.699   0.625  -0.272  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        4.000  -1.443  -3.386  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        3.248   0.608   0.229  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       -2.183   1.796   2.805  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.100   1.169   1.916  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.948   1.374   0.565  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -4.033   0.903  -0.218  0.00  0.00    -0.000 A 
ATOM     24  C   LIG    1       -3.925   1.075  -1.614  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -2.811   1.670  -2.204  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -1.763   2.115  -1.411  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -1.827   1.966  -0.028  0.00  0.00    +0.046 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -5.307   0.224   0.484  0.00  0.00    +0.050 C 
ATOM     29  C   LIG    1       -6.484  -0.353  -0.337  0.00  0.00    +0.090 C 
ATOM     30  N   LIG    1       -5.865  -1.693  -0.245  0.00  0.00    -0.315 NA
ATOM     31  H   LIG    1       -5.237  -1.893  -1.025  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -5.143  -1.242   0.967  0.00  0.00    +0.090 C 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9