REMARK  Name = BDB018372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.045  -5.790   0.384  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        0.445  -4.433   0.207  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        1.675  -4.082   0.741  0.00  0.00    +0.253 A 
ATOM      4  O   LIG    1        2.424  -4.843   1.347  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        2.091  -2.675   0.527  0.00  0.00    +0.094 A 
ATOM      6  C   LIG    1        1.323  -1.781  -0.124  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1       -0.025  -2.212  -0.572  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1       -0.377  -3.503  -0.400  0.00  0.00    +0.099 A 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1        1.762  -0.475  -0.392  0.00  0.00    -0.328 N 
ATOM     10  C   LIG    1        2.600   0.321   0.523  0.00  0.00    +0.125 C 
ATOM     11  C   LIG    1        3.182   1.465  -0.338  0.00  0.00    +0.095 C 
ATOM     12  C   LIG    1        2.271   1.496  -1.558  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        1.932   0.029  -1.760  0.00  0.00    +0.107 C 
BRANCH  11  14
ATOM     14  N   LIG    1        3.149   2.780   0.335  0.00  0.00    -0.182 NA
ATOM     15  H   LIG    1        2.236   3.118   0.646  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  S   LIG    1        4.352   3.116   1.485  0.00  0.00    +0.127 S 
ATOM     17  O   LIG    1        4.649   1.851   2.130  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        3.783   4.202   2.263  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1        5.814   3.726   0.482  0.00  0.00    +0.536 C 
ATOM     20  F   LIG    1        6.878   4.049   1.267  0.00  0.00    -0.149 F 
ATOM     21  F   LIG    1        5.502   4.832  -0.251  0.00  0.00    -0.149 F 
ATOM     22  F   LIG    1        6.241   2.779  -0.403  0.00  0.00    -0.149 F 
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   7  23
ATOM     23  C   LIG    1       -0.988  -1.297  -1.113  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -1.438  -0.136  -0.524  0.00  0.00    +0.117 A 
ATOM     25  N   LIG    1       -2.371   0.385  -1.376  0.00  0.00    -0.267 N 
ATOM     26  N   LIG    1       -2.537  -0.349  -2.500  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1       -1.709  -1.383  -2.323  0.00  0.00    +0.143 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -3.115   1.625  -1.196  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.221   1.472  -0.181  0.00  0.00    -0.026 A 
ATOM     30  C   LIG    1       -4.139   2.104   1.068  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -5.166   1.958   2.003  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.282   1.181   1.699  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.374   0.547   0.462  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.349   0.692  -0.474  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH   7  23
TORSDOF 7