REMARK  Name = BDB007944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.071  -4.301  -0.498  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        0.183  -3.561   0.454  0.00  0.00    +0.227 C 
ATOM      3  N   LIG    1        1.459  -3.530   0.941  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1        2.107  -4.098   0.406  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.029  -2.653   1.950  0.00  0.00    +0.178 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.810  -1.542   1.266  0.00  0.00    +0.127 A 
ATOM      7  N   LIG    1        2.062  -0.564   0.680  0.00  0.00    -0.309 N 
ATOM      8  H   LIG    1        1.047  -0.635   0.670  0.00  0.00    +0.170 HD
ATOM      9  C   LIG    1        2.614   0.474  -0.005  0.00  0.00    +0.255 A 
ATOM     10  O   LIG    1        1.936   1.328  -0.567  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        4.093   0.494  -0.022  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        4.771   1.619  -0.744  0.00  0.00    +0.042 C 
ATOM     13  C   LIG    1        6.258   1.358  -0.987  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1        6.917   0.755   0.248  0.00  0.00    +0.006 C 
ATOM     15  C   LIG    1        6.246  -0.562   0.644  0.00  0.00    +0.056 C 
ATOM     16  C   LIG    1        4.735  -0.512   0.600  0.00  0.00    +0.052 A 
ATOM     17  N   LIG    1        4.105  -1.552   1.244  0.00  0.00    -0.237 NA
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1       -0.893  -2.682   1.101  0.00  0.00    +0.180 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -0.724  -1.261   0.702  0.00  0.00    -0.294 NA
ATOM     20  C   LIG    1       -1.121  -1.045  -0.708  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -2.509  -0.433  -0.888  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1       -2.639   0.916  -0.166  0.00  0.00    +0.063 C 
ATOM     23  C   LIG    1       -1.708   0.991   1.058  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -1.467  -0.398   1.643  0.00  0.00    +0.085 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.096   1.117   0.255  0.00  0.00    +0.166 C 
ATOM     26  O   LIG    1       -4.475   0.843   1.395  0.00  0.00    -0.292 OA
BRANCH  25  27
ATOM     27  C   LIG    1       -5.104   1.616  -0.736  0.00  0.00    +0.018 A 
ATOM     28  C   LIG    1       -4.777   1.958  -2.056  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -5.769   2.410  -2.931  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -7.084   2.520  -2.492  0.00  0.00    +0.123 A 
ATOM     31  F   LIG    1       -8.028   2.952  -3.337  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -7.428   2.189  -1.188  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -6.439   1.738  -0.311  0.00  0.00    +0.014 A 
ENDBRANCH  25  27
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 6