REMARK  Name = BDB060083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.752  -1.128   1.624  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.895  -0.875   0.546  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.548  -1.216   0.716  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.058  -1.796   1.883  0.00  0.00    +0.093 A 
ATOM      5  N   LIG    1        1.294  -2.017   1.783  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1        1.653  -1.575   0.592  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -0.930  -2.077   2.955  0.00  0.00    -0.020 A 
ATOM      8  C   LIG    1       -0.475  -2.709   4.237  0.00  0.00    +0.046 C 
ATOM      9  N   LIG    1        0.556  -1.106  -0.099  0.00  0.00    -0.328 N 
ATOM     10  C   LIG    1        0.557  -0.569  -1.439  0.00  0.00    +0.150 C 
ATOM     11  C   LIG    1       -2.288  -1.734   2.794  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  12
ATOM     12  O   LIG    1       -4.104  -0.857   1.571  0.00  0.00    -0.454 OA
BRANCH  12  18
ATOM     13  C   LIG    1       -5.825   3.983  -0.696  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1       -5.342   2.712  -0.066  0.00  0.00    +0.039 A 
ATOM     15  N   LIG    1       -5.861   1.551  -0.535  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1       -5.436   0.389   0.025  0.00  0.00    +0.081 A 
ATOM     17  C   LIG    1       -6.042  -0.876  -0.508  0.00  0.00    +0.069 C 
ATOM     18  C   LIG    1       -4.477   0.353   1.036  0.00  0.00    +0.149 A 
ATOM     19  C   LIG    1       -3.971   1.557   1.521  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -4.403   2.754   0.960  0.00  0.00    +0.026 A 
ENDBRANCH  12  18
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  C   LIG    1        3.044  -1.608   0.044  0.00  0.00    +0.303 C 
BRANCH  21  22
ATOM     22  O   LIG    1        3.362  -0.287  -0.396  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.568  -0.112  -1.015  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        4.773   1.170  -1.533  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1        5.964   1.489  -2.197  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1        6.958   0.515  -2.341  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        6.757  -0.764  -1.820  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.566  -1.077  -1.158  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1        6.126   2.864  -2.727  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1        5.302   3.757  -2.660  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        7.316   3.057  -3.322  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        7.287   3.994  -3.607  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 7