REMARK  Name = BDB062868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.788   0.562  -0.058  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1        0.032   1.189  -1.064  0.00  0.00    +0.251 C 
ATOM      3  O   LIG    1        0.243   2.338  -1.453  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.119   0.486  -1.668  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.209   0.020  -0.943  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -2.624   0.134   0.448  0.00  0.00    -0.006 A 
ATOM      7  C   LIG    1       -3.809  -0.599   0.638  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -4.201  -1.168  -0.663  0.00  0.00    +0.194 C 
ATOM      9  O   LIG    1       -5.174  -1.854  -0.894  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1       -4.472  -0.695   1.848  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -3.923  -0.006   2.927  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.756   0.760   2.763  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.107   0.841   1.522  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -3.181  -0.729  -1.635  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -3.152  -0.978  -2.998  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -2.092  -0.441  -3.722  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -1.086   0.289  -3.065  0.00  0.00    +0.014 A 
ENDBRANCH   2   4
BRANCH   1  18
ATOM     18  C   LIG    1        0.837  -0.850   0.166  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        0.830  -1.761  -0.898  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        0.875  -3.138  -0.662  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        0.938  -3.622   0.641  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        0.966  -2.729   1.708  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        0.923  -1.353   1.472  0.00  0.00    +0.023 A 
ENDBRANCH   1  18
BRANCH   1  24
ATOM     24  C   LIG    1        1.807   1.386   0.604  0.00  0.00    +0.114 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.139   1.358  -0.149  0.00  0.00    +0.030 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.132   2.356   0.442  0.00  0.00    +0.122 C 
BRANCH  26  28
ATOM     27  O   LIG    1        5.814   1.438  -1.053  0.00  0.00    -0.251 OA
ATOM     28  C   LIG    1        5.466   2.303  -0.265  0.00  0.00    +0.305 C 
BRANCH  28  29
ATOM     29  O   LIG    1        6.279   3.324   0.091  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        5.879   3.947   0.727  0.00  0.00    +0.295 HD
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7