REMARK  Name = BDB007759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.346  -1.007   2.580  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -1.600  -1.561   2.709  0.00  0.00    -0.308 N 
ATOM      3  H   LIG    1       -2.147  -1.622   1.849  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.332  -0.626   3.527  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        1.697  -0.241  -0.411  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1        0.909  -0.673  -1.412  0.00  0.00    -0.201 NA
ATOM      7  C   LIG    1       -0.266  -1.200  -1.046  0.00  0.00    +0.225 A 
ATOM      8  N   LIG    1       -0.708  -1.332   0.207  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        0.134  -0.879   1.168  0.00  0.00    +0.132 A 
ATOM     10  C   LIG    1        1.362  -0.316   0.915  0.00  0.00    +0.100 A 
BRANCH   5  11
ATOM     11  O   LIG    1        2.925   0.325  -0.693  0.00  0.00    -0.473 OA
BRANCH  11  17
ATOM     12  C   LIG    1        8.497   0.624  -1.716  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        7.516  -0.519  -1.787  0.00  0.00    +0.212 C 
ATOM     14  N   LIG    1        6.162  -0.194  -1.854  0.00  0.00    -0.301 N 
ATOM     15  C   LIG    1        5.206  -1.295  -1.749  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        3.910  -1.007  -2.497  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1        3.301   0.334  -2.078  0.00  0.00    +0.178 C 
ATOM     18  C   LIG    1        4.343   1.441  -2.262  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        5.642   1.132  -1.524  0.00  0.00    +0.111 C 
ATOM     20  O   LIG    1        7.927  -1.680  -1.804  0.00  0.00    -0.276 OA
ENDBRANCH  11  17
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  21
ATOM     21  C   LIG    1       -2.310  -1.590   3.967  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.019  -0.267   4.308  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -3.429  -0.293   5.684  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -2.615  -0.325   6.217  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -4.279  -0.037   3.439  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.010   0.134   1.998  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -5.243  -0.104   1.221  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -5.080   0.169  -0.259  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -4.073   1.030  -0.725  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -3.959   1.291  -2.097  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -4.857   0.721  -2.999  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.870  -0.116  -2.539  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.080   1.624   0.241  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -5.985  -0.388  -1.175  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -3.516   1.492   1.707  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 8