REMARK  Name = BDB009308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.116   0.169  -1.648  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1        0.059   1.308  -2.443  0.00  0.00    +0.145 A 
ATOM      3  F   LIG    1        1.249   1.929  -2.460  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1       -0.973   1.816  -3.225  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -2.214   1.185  -3.216  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.427   0.050  -2.417  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1       -1.363  -0.461  -1.649  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        1.081  -1.326  -0.021  0.00  0.00    +0.255 C 
ATOM      9  N   LIG    1        0.995  -0.265  -0.900  0.00  0.00    -0.280 N 
ATOM     10  H   LIG    1        1.849   0.281  -1.009  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        0.172  -2.096   0.279  0.00  0.00    -0.272 OA
BRANCH   8  12
ATOM     12  C   LIG    1        2.474  -1.487   0.596  0.00  0.00    +0.324 C 
BRANCH  12  13
ATOM     13  O   LIG    1        3.361  -0.466   0.142  0.00  0.00    -0.483 OA
BRANCH  13  17
ATOM     14  C   LIG    1        7.327  -0.337   1.439  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1        6.809   0.598   0.546  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1        5.473   0.513   0.141  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1        4.641  -0.502   0.620  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        5.158  -1.438   1.514  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        6.495  -1.351   1.918  0.00  0.00    +0.049 A 
BRANCH  14  21
ATOM     20  C   LIG    1        9.495   0.637   1.455  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        8.608  -0.373   1.917  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH  13  17
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1       -3.777  -0.637  -2.441  0.00  0.00    +0.094 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.292  -1.069  -1.074  0.00  0.00    +0.087 A 
ATOM     24  C   LIG    1       -4.788  -0.022  -0.114  0.00  0.00    +0.059 A 
ATOM     25  N   LIG    1       -4.741   1.336  -0.422  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1       -3.977   1.581  -1.048  0.00  0.00    +0.146 HD
ATOM     27  C   LIG    1       -4.956   2.328   0.628  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -6.101   1.872   1.528  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1       -5.839   0.467   2.086  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -5.285  -0.471   1.049  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -5.284  -1.918   1.357  0.00  0.00    +0.270 A 
ATOM     32  O   LIG    1       -5.715  -2.350   2.422  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -4.769  -2.738   0.389  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -4.748  -3.733   0.586  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -4.287  -2.345  -0.821  0.00  0.00    -0.174 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 7