REMARK  Name = BDB021229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.673  -0.051  -0.393  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.084   0.261   0.869  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.721   0.486   0.887  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.385   0.837   2.174  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.559   0.758   2.885  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.080   0.382  -0.262  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.465   0.103  -1.414  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.606   0.389   2.074  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.826  -0.116  -1.446  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        8.229  -1.130  -1.128  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        6.778  -0.830  -0.927  0.00  0.00    +0.126 A 
ATOM     12  N   LIG    1        6.158  -0.092  -1.866  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1        4.843   0.150  -1.667  0.00  0.00    +0.123 A 
ATOM     14  C   LIG    1        4.110  -0.324  -0.593  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        4.859  -1.059   0.308  0.00  0.00    +0.123 A 
ATOM     16  N   LIG    1        6.174  -1.337   0.162  0.00  0.00    -0.240 NA
ENDBRANCH   1  14
BRANCH   5  17
ATOM     17  C   LIG    1        1.744   1.018   4.281  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1        1.860   1.232   5.417  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1       -1.437   0.598  -0.189  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.780   0.742  -1.137  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.280  -0.408   0.450  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.683   0.110   0.555  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.599   0.023  -0.489  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.446  -0.515  -1.862  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.915  -0.540  -2.287  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.651   0.409  -1.484  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.876   0.558  -0.363  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.300   1.198   0.784  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.401   1.291   1.846  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.113   0.753   1.724  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -3.271   0.869   2.763  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5