REMARK  Name = BDB022192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.872   0.859   1.754  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1        0.271   0.002   2.375  0.00  0.00    +0.171 C 
ATOM      3  C   LIG    1        1.266   0.824   3.233  0.00  0.00    +0.240 C 
ATOM      4  O   LIG    1        1.928   0.320   4.143  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1        1.558   2.109   2.832  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        2.292   2.591   3.336  0.00  0.00    +0.156 HD
ATOM      7  C   LIG    1        0.760   2.739   1.914  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        0.901   4.005   1.427  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1        1.946   4.958   1.705  0.00  0.00    +0.174 C 
ATOM     10  N   LIG    1       -0.112   4.359   0.614  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1       -0.927   3.294   0.606  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1       -2.218   3.373  -0.127  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -0.387   2.220   1.365  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  18
ATOM     14  C   LIG    1       -2.939  -1.031  -1.586  0.00  0.00    +0.155 A 
ATOM     15  C   LIG    1       -3.499  -0.978  -0.307  0.00  0.00    +0.165 A 
ATOM     16  F   LIG    1       -4.705  -1.520  -0.077  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1       -2.834  -0.367   0.756  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -1.579   0.227   0.565  0.00  0.00    -0.035 A 
ATOM     19  C   LIG    1       -1.014   0.165  -0.723  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -1.686  -0.453  -1.787  0.00  0.00    +0.049 A 
BRANCH  14  22
ATOM     21  C   LIG    1       -3.109  -1.811  -3.829  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -3.693  -1.653  -2.543  0.00  0.00    -0.492 OA
ENDBRANCH  14  22
ENDBRANCH   1  18
BRANCH   2  23
ATOM     23  N   LIG    1        1.100  -0.729   1.404  0.00  0.00    -0.299 N 
ATOM     24  H   LIG    1        1.938  -0.276   1.067  0.00  0.00    +0.150 HD
ATOM     25  C   LIG    1        0.886  -2.066   1.148  0.00  0.00    +0.245 C 
ATOM     26  O   LIG    1       -0.002  -2.719   1.684  0.00  0.00    -0.270 OA
BRANCH  25  27
ATOM     27  C   LIG    1        1.811  -2.718   0.180  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        2.461  -2.002  -0.834  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        3.312  -2.665  -1.724  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1        3.507  -4.041  -1.607  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1        4.553  -4.850  -2.707  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        2.854  -4.764  -0.612  0.00  0.00    +0.021 A 
ATOM     33  C   LIG    1        2.003  -4.104   0.279  0.00  0.00    +0.014 A 
ENDBRANCH  25  27
ENDBRANCH   2  23
TORSDOF 4