REMARK  Name = BDB060549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.521  -0.046  -1.516  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        2.968   0.256  -0.216  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.647   0.116   0.144  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.611   0.533   1.471  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        0.396   0.514   2.171  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -0.760   0.078   1.511  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -0.702  -0.316   0.171  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1        2.856   0.912   1.901  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        0.506  -0.327  -0.537  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1        3.669   0.719   0.878  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1       -1.811  -0.782  -0.504  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -2.963  -0.031  -0.421  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1       -4.156  -0.727  -0.194  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1       -5.399  -0.066  -0.121  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -5.375   1.332  -0.305  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1       -4.187   2.029  -0.556  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1       -2.977   1.345  -0.623  0.00  0.00    +0.050 A 
BRANCH  14  18
ATOM     18  C   LIG    1       -6.706  -0.844   0.147  0.00  0.00    -0.009 C 
ATOM     19  C   LIG    1       -7.369  -0.352   1.453  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -7.687  -0.673  -1.035  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -6.495  -2.371   0.317  0.00  0.00    +0.015 C 
ENDBRANCH  14  18
BRANCH  15  22
ATOM     22  O   LIG    1       -6.540   2.047  -0.247  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1       -6.346   2.987  -0.387  0.00  0.00    +0.292 HD
ENDBRANCH  15  22
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  24
ATOM     24  C   LIG    1        5.140   0.994   0.882  0.00  0.00    +0.303 C 
BRANCH  24  25
ATOM     25  O   LIG    1        5.798  -0.188   0.427  0.00  0.00    -0.484 OA
BRANCH  25  26
ATOM     26  C   LIG    1        7.158  -0.128   0.297  0.00  0.00    +0.121 A 
ATOM     27  C   LIG    1        7.969   0.960   0.625  0.00  0.00    +0.045 A 
ATOM     28  C   LIG    1        9.353   0.884   0.435  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        9.930  -0.275  -0.079  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        9.126  -1.364  -0.404  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.745  -1.289  -0.214  0.00  0.00    +0.045 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  10  24
TORSDOF 7