REMARK  Name = BDB009090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.338   1.399  -0.998  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.637   1.693  -0.034  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.808   2.394  -0.370  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        1.979   2.830  -1.688  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.015   2.540  -2.653  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.135   1.823  -2.311  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.578   0.326  -1.316  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -1.468   0.674  -0.568  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -1.488   0.443   0.417  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -2.814   0.642  -2.476  0.00  0.00    -0.270 OA
BRANCH   7  16
ATOM     11  C   LIG    1       -5.937  -1.011  -0.221  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1       -5.565  -1.975   0.734  0.00  0.00    -0.009 A 
ATOM     13  C   LIG    1       -6.609  -2.785   1.454  0.00  0.00    +0.047 C 
ATOM     14  C   LIG    1       -4.206  -2.200   1.002  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -3.222  -1.464   0.342  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -3.593  -0.488  -0.588  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -4.948  -0.274  -0.878  0.00  0.00    +0.059 A 
BRANCH  11  19
ATOM     18  C   LIG    1       -7.698   0.034  -1.446  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -7.285  -0.871  -0.429  0.00  0.00    -0.495 OA
ENDBRANCH  11  19
ENDBRANCH   7  16
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        2.847   2.710   0.680  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.296   1.486   1.475  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        4.206   0.481   0.840  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        4.730   0.680  -0.555  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1        5.894  -0.252  -0.904  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        5.619  -1.674  -0.433  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        5.396  -1.716   1.081  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        4.525  -0.596   1.579  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        4.009  -0.728   2.965  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1        4.292  -1.689   3.672  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1        3.203   0.287   3.403  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1        2.846   0.219   4.350  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1        2.832   1.380   2.686  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5