REMARK  Name = BDB032075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.974  -3.222   2.450  0.00  0.00    +0.153 C 
ATOM      2  N   LIG    1       -1.424  -2.431   1.371  0.00  0.00    -0.302 N 
ATOM      3  C   LIG    1       -2.057  -1.218   1.069  0.00  0.00    +0.263 A 
ATOM      4  O   LIG    1       -3.042  -0.798   1.668  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1       -1.426  -0.508  -0.024  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1       -1.682   0.727  -0.682  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.703   0.863  -1.654  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1        0.118  -0.237  -1.600  0.00  0.00    -0.322 N 
ATOM      9  C   LIG    1       -0.313  -1.073  -0.608  0.00  0.00    +0.149 A 
ATOM     10  N   LIG    1        0.295  -2.240  -0.287  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1       -0.298  -2.866   0.687  0.00  0.00    +0.204 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.725   1.717  -0.478  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1       -2.400   3.075  -0.361  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -3.410   4.014  -0.174  0.00  0.00    +0.168 A 
ATOM     15  F   LIG    1       -3.096   5.313  -0.061  0.00  0.00    -0.202 F 
ATOM     16  C   LIG    1       -4.744   3.628  -0.104  0.00  0.00    +0.188 A 
ATOM     17  C   LIG    1       -5.067   2.283  -0.220  0.00  0.00    +0.168 A 
ATOM     18  F   LIG    1       -6.346   1.884  -0.163  0.00  0.00    -0.202 F 
ATOM     19  C   LIG    1       -4.069   1.327  -0.406  0.00  0.00    +0.050 A 
BRANCH  16  20
ATOM     20  O   LIG    1       -5.728   4.561   0.075  0.00  0.00    -0.502 OA
ATOM     21  H   LIG    1       -5.294   5.431   0.145  0.00  0.00    +0.292 HD
ENDBRANCH  16  20
ENDBRANCH   6  12
BRANCH   8  22
ATOM     22  C   LIG    1        1.246  -0.492  -2.476  0.00  0.00    +0.219 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.558  -0.066  -1.847  0.00  0.00    +0.237 C 
ATOM     24  N   LIG    1        2.981  -0.895  -0.821  0.00  0.00    -0.283 N 
ATOM     25  H   LIG    1        2.329  -1.626  -0.526  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1        3.159   0.918  -2.272  0.00  0.00    -0.274 OA
BRANCH  24  27
ATOM     27  C   LIG    1        4.175  -0.796  -0.060  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        4.400  -1.715   0.975  0.00  0.00    +0.080 A 
ATOM     29 CL   LIG    1        3.280  -2.970   1.355  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1        5.571  -1.613   1.715  0.00  0.00    +0.132 A 
ATOM     31  N   LIG    1        6.521  -0.676   1.501  0.00  0.00    -0.262 NA
ATOM     32  C   LIG    1        6.286   0.196   0.500  0.00  0.00    +0.112 A 
ATOM     33  C   LIG    1        5.148   0.176  -0.296  0.00  0.00    +0.044 A 
ENDBRANCH  24  27
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 5