REMARK  Name = BDB032228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.104   0.431  -0.275  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -0.353   0.406  -1.599  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.392  -0.445  -1.966  0.00  0.00    +0.128 A 
ATOM      4  F   LIG    1       -1.795  -0.448  -3.245  0.00  0.00    -0.205 F 
ATOM      5  C   LIG    1       -2.013  -1.284  -1.038  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.543  -1.271   0.284  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -0.499  -0.419   0.662  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1        1.229   1.360   0.129  0.00  0.00    +0.119 C 
BRANCH   8  13
ATOM      9  N   LIG    1        6.471   0.799   0.171  0.00  0.00    -0.299 NA
ATOM     10  C   LIG    1        5.406   0.524   1.187  0.00  0.00    +0.095 C 
ATOM     11  C   LIG    1        4.410   0.658   0.077  0.00  0.00    +0.022 C 
ATOM     12  C   LIG    1        3.150  -0.149   0.057  0.00  0.00    +0.095 C 
ATOM     13  N   LIG    1        2.482   1.034  -0.562  0.00  0.00    -0.297 NA
ATOM     14  C   LIG    1        3.590   1.908  -0.068  0.00  0.00    +0.095 C 
ATOM     15  C   LIG    1        5.512   0.383  -0.906  0.00  0.00    +0.095 C 
BRANCH   9  17
ATOM     16  C   LIG    1        8.519  -0.017  -0.922  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1        7.589  -0.153   0.289  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        8.393   0.144   1.561  0.00  0.00    +0.024 C 
ENDBRANCH   9  17
ENDBRANCH   8  13
ENDBRANCH   1   8
BRANCH   5  19
ATOM     19  C   LIG    1       -3.124  -2.204  -1.476  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -4.331  -2.062  -0.661  0.00  0.00    -0.339 N 
ATOM     21  H   LIG    1       -4.155  -2.309   0.305  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -5.176  -0.939  -0.752  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1       -6.230  -0.762   0.204  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -7.092   0.360   0.108  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -8.106   0.511   1.081  0.00  0.00    +0.124 A 
ATOM     26  N   LIG    1       -8.303  -0.340   2.102  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1       -7.490  -1.408   2.166  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1       -6.912   1.273  -0.950  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1       -5.935   1.068  -1.915  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -6.472  -1.660   1.263  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -5.093  -0.037  -1.825  0.00  0.00    +0.023 A 
BRANCH  25  32
ATOM     32  N   LIG    1       -9.007   1.583   1.051  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1       -9.506   1.598   0.169  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1       -9.643   1.430   1.831  0.00  0.00    +0.144 HD
ENDBRANCH  25  32
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7