REMARK  Name = BDB033595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.086  -1.052   0.075  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.071  -0.104   0.461  0.00  0.00    +0.109 A 
ATOM      3  C   LIG    1        1.664   0.257  -0.734  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.708   1.168  -0.856  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1        3.160   1.760   0.336  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        2.564   1.417   1.562  0.00  0.00    +0.171 A 
ATOM      7  F   LIG    1        3.002   2.041   2.666  0.00  0.00    -0.201 F 
ATOM      8  O   LIG    1        1.068  -0.413  -1.753  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1        1.521   0.476   1.663  0.00  0.00    +0.173 A 
ATOM     10  N   LIG    1        0.069  -1.226  -1.249  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -0.761  -1.694   0.966  0.00  0.00    -0.196 N 
ATOM     12  H   LIG    1       -0.771  -1.397   1.940  0.00  0.00    +0.175 HD
BRANCH  11  13
ATOM     13  S   LIG    1       -2.058  -2.646   0.514  0.00  0.00    +0.082 S 
ATOM     14  O   LIG    1       -2.813  -2.888   1.730  0.00  0.00    -0.150 OA
ATOM     15  O   LIG    1       -1.524  -3.760  -0.238  0.00  0.00    -0.150 OA
BRANCH  13  17
ATOM     16  C   LIG    1       -3.398  -0.322  -0.043  0.00  0.00    +0.154 A 
ATOM     17  C   LIG    1       -3.051  -1.599  -0.486  0.00  0.00    +0.211 A 
ATOM     18  C   LIG    1       -3.534  -2.009  -1.714  0.00  0.00    +0.246 A 
ATOM     19  N   LIG    1       -4.293  -1.207  -2.509  0.00  0.00    -0.216 NA
ATOM     20  C   LIG    1       -4.575   0.044  -2.086  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -5.388   0.914  -2.997  0.00  0.00    +0.066 C 
ATOM     22  C   LIG    1       -4.147   0.524  -0.859  0.00  0.00    +0.071 A 
BRANCH  16  24
ATOM     23  C   LIG    1       -4.029   0.236   2.108  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -2.956   0.155   1.165  0.00  0.00    -0.493 OA
ENDBRANCH  16  24
BRANCH  18  25
ATOM     25  O   LIG    1       -3.319  -3.296  -2.140  0.00  0.00    -0.478 OA
ATOM     26  C   LIG    1       -3.673  -3.530  -3.498  0.00  0.00    +0.279 C 
ENDBRANCH  18  25
ENDBRANCH  13  17
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   5  27
ATOM     27  C   LIG    1        4.313   2.734   0.312  0.00  0.00    +0.181 C 
BRANCH  27  28
ATOM     28  N   LIG    1        5.590   2.034   0.337  0.00  0.00    -0.267 N 
ATOM     29  N   LIG    1        6.076   1.552   1.499  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        7.235   0.988   1.149  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        7.497   1.114  -0.227  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        6.416   1.801  -0.728  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
BRANCH   9  33
ATOM     33  O   LIG    1        0.886   0.098   2.814  0.00  0.00    -0.458 OA
BRANCH  33  34
ATOM     34  C   LIG    1        1.574   0.353   4.034  0.00  0.00    +0.444 C 
ATOM     35  F   LIG    1        0.906  -0.346   4.992  0.00  0.00    -0.204 F 
ENDBRANCH  33  34
ENDBRANCH   9  33
TORSDOF 9