REMARK  Name = BDB029818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.557   0.255   0.032  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.528   0.852  -0.799  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        1.737  -0.351   0.428  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        1.731  -1.325   1.179  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.014   0.205  -0.093  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        3.058   1.266  -0.995  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        1.922   1.832  -1.434  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        4.283   1.750  -1.452  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        4.338   3.066  -2.564  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        5.480   1.179  -1.017  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        5.462   0.110  -0.113  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.220  -0.367   0.343  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.685  -0.513   0.369  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        6.696  -1.457   1.371  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        7.955  -1.792   1.533  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        8.762  -1.104   0.676  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       10.193  -1.235   0.586  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        7.970  -0.281  -0.076  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.722  -0.549   0.300  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.489  -1.394   0.850  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.545  -1.014  -1.123  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.262  -0.010  -2.127  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.235  -2.410  -1.339  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.248  -0.884  -0.587  0.00  0.00    +0.191 C 
BRANCH  24  28
ATOM     25  C   LIG    1       -7.364   0.324  -0.072  0.00  0.00    +0.215 C 
ATOM     26  N   LIG    1       -6.034   0.575  -0.320  0.00  0.00    -0.301 N 
ATOM     27  C   LIG    1       -4.928   0.562   0.624  0.00  0.00    +0.113 C 
ATOM     28  C   LIG    1       -3.668   0.551  -0.248  0.00  0.00    +0.030 C 
ATOM     29  C   LIG    1       -4.134   1.345  -1.476  0.00  0.00    +0.025 C 
ATOM     30  C   LIG    1       -5.588   0.927  -1.656  0.00  0.00    +0.108 C 
ATOM     31  O   LIG    1       -8.207   0.346  -0.971  0.00  0.00    -0.276 OA
BRANCH  25  33
ATOM     32  C   LIG    1       -7.965   1.328   2.144  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -7.781   0.044   1.358  0.00  0.00    +0.092 C 
ENDBRANCH  25  33
ENDBRANCH  24  28
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7