REMARK  Name = BDB036908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.503  -2.203   0.862  0.00  0.00    +0.063 S 
ATOM      2  O   LIG    1        0.469  -2.113   2.303  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1        0.937  -3.427   0.220  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        1.518  -0.934   0.203  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1        1.528  -0.732  -1.163  0.00  0.00    +0.139 A 
ATOM      6  N   LIG    1        2.258   0.240  -1.760  0.00  0.00    -0.249 NA
ATOM      7  C   LIG    1        3.053   1.023  -0.969  0.00  0.00    +0.144 A 
ATOM      8  C   LIG    1        3.101   0.853   0.419  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        2.325  -0.141   1.012  0.00  0.00    +0.032 A 
BRANCH   7  10
ATOM     10  C   LIG    1        3.887   2.133  -1.601  0.00  0.00    +0.434 C 
ATOM     11  F   LIG    1        4.011   2.042  -2.954  0.00  0.00    -0.164 F 
ATOM     12  F   LIG    1        5.163   2.172  -1.114  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1        3.366   3.370  -1.354  0.00  0.00    -0.164 F 
ENDBRANCH   7  10
ENDBRANCH   1   4
BRANCH   1  15
ATOM     14  C   LIG    1       -1.977  -3.029   0.483  0.00  0.00    +0.132 C 
ATOM     15  N   LIG    1       -1.068  -1.864   0.277  0.00  0.00    -0.168 NA
BRANCH  15  16
ATOM     16  C   LIG    1       -1.766  -0.569   0.572  0.00  0.00    +0.166 C 
ATOM     17  C   LIG    1       -0.997   0.596   1.197  0.00  0.00    +0.238 C 
ATOM     18  O   LIG    1       -0.403   0.523   2.269  0.00  0.00    -0.274 OA
ATOM     19  N   LIG    1       -1.042   1.804   0.549  0.00  0.00    -0.255 N 
ATOM     20  H   LIG    1       -0.527   2.542   1.015  0.00  0.00    +0.158 HD
ATOM     21  C   LIG    1       -2.145   2.266  -0.118  0.00  0.00    +0.219 C 
ATOM     22  O   LIG    1       -2.381   3.466  -0.205  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1       -3.096   1.214  -0.622  0.00  0.00    +0.098 C 
ATOM     24  C   LIG    1       -2.384  -0.118  -0.768  0.00  0.00    +0.039 C 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4