REMARK  Name = BDB030168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.101  -0.845  -0.429  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.048  -0.698  -1.315  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.078   0.004  -2.061  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.949  -1.414   0.650  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.789   0.021  -0.267  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.514  -0.484   0.041  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -2.421  -0.283  -0.819  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -2.614   0.433  -1.998  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -1.588   0.649  -2.838  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.874   0.939  -2.316  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -4.115   1.822  -3.776  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.958   0.736  -1.459  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -9.196   0.039   2.027  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -7.824  -0.207   1.662  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -7.169   0.299   0.574  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -5.891  -0.216   0.653  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -5.773  -1.018   1.766  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -6.949  -0.993   2.350  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.346  -0.977  -0.740  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.251  -1.390   0.203  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.341   0.409  -0.659  0.00  0.00    +0.049 S 
ATOM     22  O   LIG    1        2.304   0.878   0.708  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        1.960   1.265  -1.764  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.938  -0.297  -1.000  0.00  0.00    +0.165 C 
ATOM     25  C   LIG    1        4.999   0.795  -1.022  0.00  0.00    +0.112 C 
ATOM     26  N   LIG    1        6.193   0.106  -0.511  0.00  0.00    -0.293 NA
ATOM     27  C   LIG    1        5.699  -0.698   0.610  0.00  0.00    +0.086 C 
ATOM     28  C   LIG    1        4.413  -1.296   0.054  0.00  0.00    +0.044 C 
BRANCH  26  29
ATOM     29  C   LIG    1        7.260   1.059  -0.119  0.00  0.00    +0.198 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.571   0.475   0.446  0.00  0.00    +0.402 C 
ATOM     31  F   LIG    1        9.474   1.465   0.649  0.00  0.00    -0.169 F 
ATOM     32  F   LIG    1        8.373  -0.134   1.637  0.00  0.00    -0.169 F 
ATOM     33  F   LIG    1        9.133  -0.420  -0.394  0.00  0.00    -0.169 F 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 7