REMARK  Name = BDB007635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.168   0.799  -1.067  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        1.125   1.318  -1.914  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.858   1.838  -2.738  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.441   0.275   0.007  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.601   1.104  -0.831  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1       -2.243   0.967  -0.499  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -1.253   0.947  -1.494  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -1.619   1.036  -2.841  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.963   1.169  -3.188  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.941   1.207  -2.193  0.00  0.00    +0.005 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -4.259   1.388   1.651  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -4.726   1.119   0.209  0.00  0.00    +0.084 C 
BRANCH  12  13
ATOM     13  N   LIG    1       -5.590  -0.068   0.049  0.00  0.00    -0.293 NA
ATOM     14  C   LIG    1       -6.921   0.090   0.656  0.00  0.00    +0.100 C 
ATOM     15  C   LIG    1       -7.836  -1.129   0.381  0.00  0.00    +0.099 C 
ATOM     16  N   LIG    1       -7.265  -2.436   0.760  0.00  0.00    -0.303 NA
ATOM     17  C   LIG    1       -7.258  -2.624   2.209  0.00  0.00    +0.105 C 
ATOM     18  C   LIG    1       -5.907  -2.549   0.191  0.00  0.00    +0.099 C 
ATOM     19  C   LIG    1       -4.977  -1.341   0.465  0.00  0.00    +0.100 C 
ENDBRANCH  12  13
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1        2.550   1.195  -1.624  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.003   2.141  -0.500  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.612   3.484  -0.835  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        1.641   3.454  -0.903  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        4.534   2.117  -0.306  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.120   0.786  -0.064  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        6.594   0.871  -0.127  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        7.298  -0.415   0.252  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        6.646  -1.395   1.019  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        7.328  -2.563   1.386  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        8.659  -2.747   1.013  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        9.315  -1.770   0.268  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.194  -1.220   1.383  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        8.640  -0.608  -0.108  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        4.719   0.233   1.241  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8