REMARK  Name = BDB030148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.034  -1.583   0.546  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.984  -1.905  -0.294  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.924  -1.504  -1.235  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -1.961  -1.758   1.762  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -5.520  -0.133   0.282  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -4.332  -0.678   0.791  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -3.262  -1.005  -0.061  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -3.390  -0.780  -1.431  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -2.379  -1.078  -2.264  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -4.566  -0.241  -1.948  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -4.727   0.034  -3.641  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -5.625   0.080  -1.100  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -8.472   0.704   4.188  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -7.939   0.583   2.855  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -6.686   0.153   2.519  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -6.641   0.215   1.142  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -7.844   0.673   0.649  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -8.601   0.884   1.702  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        0.368  -2.142   0.393  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.232  -2.187   1.417  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.527  -0.927   0.043  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        1.231  -0.454  -1.293  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        1.534  -0.044   1.187  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.014  -1.922   0.031  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.308  -1.207  -0.381  0.00  0.00    +0.014 C 
ATOM     26  C   LIG    1        4.319  -0.691  -1.832  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1        4.311   0.836  -1.910  0.00  0.00    +0.085 C 
ATOM     28  N   LIG    1        5.420   1.468  -1.182  0.00  0.00    -0.294 NA
ATOM     29  C   LIG    1        5.880   0.717  -0.007  0.00  0.00    +0.085 C 
ATOM     30  C   LIG    1        4.763  -0.125   0.611  0.00  0.00    +0.020 C 
BRANCH  28  31
ATOM     31  C   LIG    1        6.537   1.857  -2.080  0.00  0.00    +0.198 C 
BRANCH  31  32
ATOM     32  C   LIG    1        7.734   2.624  -1.480  0.00  0.00    +0.402 C 
ATOM     33  F   LIG    1        8.592   2.993  -2.462  0.00  0.00    -0.169 F 
ATOM     34  F   LIG    1        8.434   1.861  -0.609  0.00  0.00    -0.169 F 
ATOM     35  F   LIG    1        7.350   3.748  -0.836  0.00  0.00    -0.169 F 
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 8