REMARK  Name = BDB007866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.956  -2.754   2.809  0.00  0.00    +0.145 C 
ATOM      2  C   LIG    1       -1.249  -3.277   1.398  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1       -0.440  -3.726   0.597  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -2.590  -3.049   1.111  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -3.253  -2.308   2.155  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1       -2.369  -2.526   3.371  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        1.677   0.651   2.607  0.00  0.00    +0.063 C 
ATOM      8  C   LIG    1        2.248  -0.761   2.785  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1        1.280  -1.856   2.328  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1       -0.071  -1.565   2.813  0.00  0.00    -0.291 NA
ATOM     11  C   LIG    1       -0.631  -0.334   2.246  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1        0.417   0.665   1.742  0.00  0.00    +0.027 C 
BRANCH   7  13
ATOM     13  C   LIG    1        2.752   1.647   2.176  0.00  0.00    +0.166 C 
ATOM     14  O   LIG    1        3.414   2.257   3.018  0.00  0.00    -0.292 OA
BRANCH  13  18
ATOM     15  C   LIG    1        3.502   2.548  -1.959  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        3.556   3.542  -0.979  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        3.323   3.233   0.363  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        3.029   1.918   0.739  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1        3.017   0.914  -0.233  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        3.245   1.231  -1.578  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1        3.528   2.039  -4.278  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        3.728   2.986  -3.234  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  13  18
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   4  23
ATOM     23  C   LIG    1       -3.091  -3.081  -0.255  0.00  0.00    +0.182 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.563  -1.861  -1.003  0.00  0.00    +0.127 A 
ATOM     25  N   LIG    1       -1.245  -1.925  -1.377  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1       -0.671  -2.703  -1.057  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -0.586  -0.862  -1.915  0.00  0.00    +0.257 A 
ATOM     28  O   LIG    1        0.627  -0.849  -2.088  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -1.439   0.293  -2.237  0.00  0.00    +0.064 A 
ATOM     30  C   LIG    1       -0.815   1.458  -2.932  0.00  0.00    +0.202 C 
ATOM     31  O   LIG    1       -1.801   2.368  -3.447  0.00  0.00    -0.375 OA
ATOM     32  C   LIG    1       -2.806   2.667  -2.476  0.00  0.00    +0.166 C 
ATOM     33  C   LIG    1       -3.625   1.413  -2.168  0.00  0.00    +0.084 C 
ATOM     34  C   LIG    1       -2.732   0.234  -1.878  0.00  0.00    +0.056 A 
ATOM     35  N   LIG    1       -3.313  -0.827  -1.223  0.00  0.00    -0.237 NA
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 6