REMARK  Name = BDB007507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.159  -0.264  -3.066  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.137  -0.454  -2.162  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.254  -1.143  -1.428  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.994   0.261  -4.163  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.141  -1.408  -0.986  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.867  -0.940  -1.326  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -2.504  -0.764  -2.667  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -3.435  -1.042  -3.673  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -4.705  -1.510  -3.339  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -5.056  -1.697  -1.999  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1       -4.348  -1.537   0.358  0.00  0.00    -0.491 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.641  -1.909   0.837  0.00  0.00    +0.244 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -6.612  -0.712   0.925  0.00  0.00    +0.124 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -7.081   1.543   1.642  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -6.167   0.407   1.781  0.00  0.00    -0.305 NA
ATOM     16  C   LIG    1       -6.054   0.024   3.188  0.00  0.00    +0.104 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  C   LIG    1        1.242  -0.175  -2.524  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.124  -0.074  -1.276  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.062  -1.316  -0.554  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        2.887  -1.335  -0.024  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.591   0.218  -1.653  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.494   0.111  -0.481  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.285   1.232   0.463  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.309   1.293   1.578  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.550   0.646   1.458  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.490   0.741   2.493  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        7.210   1.496   3.631  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.989   2.156   3.746  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.841  -0.200   0.246  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        5.044   2.058   2.724  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        5.900   0.111  -0.925  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 10