REMARK  Name = BDB030094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.161  -0.342  -1.333  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -1.012  -1.291  -0.977  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -2.232   0.420  -0.902  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -2.239   1.643  -1.034  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.375  -0.284  -0.263  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -3.381  -1.660  -0.043  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -2.327  -2.411  -0.405  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -4.479  -2.272   0.560  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -4.489  -3.974   0.829  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -5.586  -1.517   0.952  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -5.604  -0.133   0.743  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.491   0.472   0.132  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.738   0.692   1.134  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -6.836   2.026   0.810  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -7.972   2.436   1.327  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -8.614   1.422   1.972  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -9.880   1.521   2.651  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -7.842   0.298   1.861  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.122   0.437  -1.651  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.075   1.452  -1.625  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.413   0.087  -0.582  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        1.244  -1.290  -0.167  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        1.465   1.174   0.370  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.798   0.222  -1.709  0.00  0.00    +0.190 C 
BRANCH  24  28
ATOM     25  C   LIG    1        6.800  -0.110  -0.105  0.00  0.00    +0.118 C 
ATOM     26  C   LIG    1        5.861  -1.277   0.227  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        4.528  -1.245  -0.527  0.00  0.00    +0.008 C 
ATOM     28  C   LIG    1        4.160   0.164  -1.003  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        5.253   0.704  -1.948  0.00  0.00    +0.008 C 
ATOM     30  C   LIG    1        6.672   0.264  -1.580  0.00  0.00    +0.032 C 
BRANCH  25  32
ATOM     31  C   LIG    1        9.032   0.548   0.414  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1        8.130  -0.531   0.210  0.00  0.00    -0.380 OA
ENDBRANCH  25  32
ENDBRANCH  24  28
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7