REMARK  Name = BDB007967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.429   0.636  -0.567  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1       -1.142  -0.717  -0.428  0.00  0.00    +0.231 C 
ATOM      3  O   LIG    1       -1.534  -1.534  -1.270  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -1.307   1.610   0.529  0.00  0.00    +0.227 C 
BRANCH   4   6
ATOM      5  N   LIG    1       -3.239   1.382   2.310  0.00  0.00    -0.195 NA
ATOM      6  C   LIG    1       -2.397   1.501   1.520  0.00  0.00    +0.082 C 
ENDBRANCH   4   6
ENDBRANCH   1   4
BRANCH   2   7
ATOM      7  C   LIG    1       -0.350  -1.195   0.799  0.00  0.00    +0.180 C 
BRANCH   7   8
ATOM      8  N   LIG    1        1.014  -0.621   0.818  0.00  0.00    -0.294 NA
ATOM      9  C   LIG    1        1.653  -0.907   2.112  0.00  0.00    +0.085 C 
ATOM     10  C   LIG    1        3.039  -0.269   2.188  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1        3.937  -0.755   1.042  0.00  0.00    +0.063 C 
ATOM     12  C   LIG    1        3.224  -0.526  -0.293  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1        1.825  -1.145  -0.293  0.00  0.00    +0.085 C 
BRANCH  11  14
ATOM     14  C   LIG    1        5.279  -0.027   1.058  0.00  0.00    +0.166 C 
ATOM     15  O   LIG    1        5.407   1.074   1.595  0.00  0.00    -0.292 OA
BRANCH  14  16
ATOM     16  C   LIG    1        6.475  -0.643   0.396  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        7.677   0.086   0.400  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        8.828  -0.434  -0.197  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        8.779  -1.685  -0.798  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        9.880  -2.187  -1.371  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        7.602  -2.423  -0.812  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        6.447  -1.905  -0.215  0.00  0.00    +0.014 A 
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   7   8
ENDBRANCH   2   7
BRANCH   1  23
ATOM     23  C   LIG    1       -2.183   1.057  -1.750  0.00  0.00    +0.183 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.673   0.899  -1.493  0.00  0.00    +0.127 A 
ATOM     25  N   LIG    1       -4.151  -0.382  -1.518  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1       -3.514  -1.162  -1.658  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -5.446  -0.682  -1.215  0.00  0.00    +0.257 A 
ATOM     28  O   LIG    1       -5.864  -1.832  -1.158  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.303   0.484  -0.944  0.00  0.00    +0.064 A 
ATOM     30  C   LIG    1       -7.747   0.243  -0.648  0.00  0.00    +0.202 C 
ATOM     31  O   LIG    1       -8.515   1.459  -0.671  0.00  0.00    -0.375 OA
ATOM     32  C   LIG    1       -7.871   2.505   0.059  0.00  0.00    +0.166 C 
ATOM     33  C   LIG    1       -6.575   2.909  -0.642  0.00  0.00    +0.084 C 
ATOM     34  C   LIG    1       -5.734   1.700  -0.965  0.00  0.00    +0.056 A 
ATOM     35  N   LIG    1       -4.405   1.935  -1.230  0.00  0.00    -0.237 NA
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8