REMARK  Name = BDB065101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.099   0.088  -2.352  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        2.187   0.497  -1.569  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1        1.991   0.748  -0.208  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.750   0.608   0.396  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -0.355   0.179  -0.371  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -1.612   0.022   0.288  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -1.692   0.376   1.635  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -0.547   0.794   2.291  0.00  0.00    +0.142 A 
ATOM      9  N   LIG    1        0.662   0.899   1.699  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -0.156  -0.062  -1.753  0.00  0.00    +0.061 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        0.275  -0.504  -4.519  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        1.359  -0.133  -3.681  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   8  13
ATOM     13  C   LIG    1       -0.592   1.143   3.685  0.00  0.00    +0.119 C 
ATOM     14  N   LIG    1       -0.667   1.416   4.812  0.00  0.00    -0.189 NA
ENDBRANCH   8  13
BRANCH   6  15
ATOM     15  N   LIG    1       -2.733  -0.404  -0.448  0.00  0.00    -0.340 N 
ATOM     16  H   LIG    1       -2.478  -1.181  -1.056  0.00  0.00    +0.146 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -4.069  -0.576   0.145  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1       -4.904  -1.482  -0.762  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -6.306  -1.687  -0.182  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1       -6.827  -0.520   0.551  0.00  0.00    -0.299 NA
ATOM     21  C   LIG    1       -6.272   0.728   0.029  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -4.766   0.786   0.304  0.00  0.00    +0.037 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -8.292  -0.605   0.724  0.00  0.00    +0.057 C 
ATOM     24  C   LIG    1       -9.084   0.499   1.369  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1       -9.260   0.202  -0.095  0.00  0.00    +0.020 C 
ENDBRANCH  20  23
ENDBRANCH  15  17
ENDBRANCH   6  15
BRANCH   2  26
ATOM     26  O   LIG    1        3.390   0.604  -2.218  0.00  0.00    -0.488 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.489   1.235  -1.561  0.00  0.00    +0.230 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.336   0.206  -0.816  0.00  0.00    +0.056 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.513   0.879  -0.106  0.00  0.00    +0.087 C 
BRANCH  29  30
ATOM     30  N   LIG    1        7.396  -0.089   0.547  0.00  0.00    -0.302 NA
ATOM     31  C   LIG    1        8.590   0.550   1.105  0.00  0.00    +0.084 C 
ATOM     32  C   LIG    1        9.169  -0.536   1.996  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1        7.967  -1.361   2.439  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1        6.779  -0.783   1.681  0.00  0.00    +0.084 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 10