REMARK  Name = BDB062869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.965   1.024   0.134  0.00  0.00    -0.293 N 
ATOM      2  C   LIG    1        0.363   1.452   0.090  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        0.776   2.329  -0.666  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        1.340   0.829   0.995  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.140  -0.230   0.593  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        2.289  -0.953  -0.660  0.00  0.00    -0.006 A 
ATOM      7  C   LIG    1        3.209  -2.001  -0.479  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        3.687  -1.945   0.916  0.00  0.00    +0.194 C 
ATOM      9  O   LIG    1        4.487  -2.688   1.444  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1        3.572  -2.886  -1.477  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        2.984  -2.706  -2.727  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.069  -1.659  -2.942  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        1.720  -0.775  -1.910  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        2.997  -0.803   1.549  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        3.123  -0.347   2.850  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        2.348   0.750   3.223  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        1.462   1.337   2.303  0.00  0.00    +0.014 A 
ENDBRANCH   2   4
BRANCH   1  18
ATOM     18  C   LIG    1       -1.925   1.707  -0.729  0.00  0.00    +0.109 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.523   2.935  -0.045  0.00  0.00    +0.030 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.472   3.680  -0.979  0.00  0.00    +0.122 C 
BRANCH  20  22
ATOM     21  O   LIG    1       -4.034   5.160   0.884  0.00  0.00    -0.251 OA
ATOM     22  C   LIG    1       -4.089   4.871  -0.298  0.00  0.00    +0.305 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -4.782   5.638  -1.162  0.00  0.00    -0.481 OA
ATOM     24  H   LIG    1       -5.130   6.369  -0.608  0.00  0.00    +0.295 HD
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
BRANCH   1  25
ATOM     25  C   LIG    1       -1.502   0.091   1.133  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.115  -1.348   0.887  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -0.556  -2.115   1.920  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -0.178  -3.441   1.697  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -0.371  -4.020   0.445  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -0.949  -3.277  -0.582  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.324  -1.951  -0.362  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 8