REMARK  Name = BDB015600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.161  -0.990  -0.608  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -0.813  -0.081  -0.446  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.435   1.201  -0.272  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.892   1.573  -0.251  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        1.793   0.552  -0.441  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        1.470  -0.730  -0.619  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.543   2.166  -0.057  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.481   3.410  -0.572  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.504   4.333  -0.407  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.349   5.655  -0.994  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.674   4.036   0.289  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.610   4.811   0.463  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.760   2.662   0.843  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.753   1.798   0.667  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        3.184   0.774  -0.345  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        3.540   1.642  -0.745  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.832   0.551   1.187  0.00  0.00    +0.045 S 
ATOM     18  O   LIG    1        5.093   1.259   1.183  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.822   0.883   2.169  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.174  -1.201   1.250  0.00  0.00    +0.197 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.739  -1.821  -0.018  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.026  -1.196  -0.499  0.00  0.00    +0.392 C 
ATOM     23  F   LIG    1        6.925  -1.090   0.499  0.00  0.00    -0.171 F 
ATOM     24  F   LIG    1        5.833   0.020  -1.044  0.00  0.00    -0.171 F 
ATOM     25  F   LIG    1        6.578  -1.973  -1.461  0.00  0.00    -0.171 F 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  26
ATOM     26  O   LIG    1       -0.179  -2.323  -0.807  0.00  0.00    -0.422 OA
BRANCH  26  29
ATOM     27  C   LIG    1       -2.596  -2.399  -2.349  0.00  0.00    +0.047 C 
ATOM     28  C   LIG    1       -2.529  -2.811  -0.906  0.00  0.00    -0.007 A 
ATOM     29  C   LIG    1       -1.332  -2.733  -0.173  0.00  0.00    +0.152 A 
ATOM     30  C   LIG    1       -1.285  -3.138   1.171  0.00  0.00    +0.094 A 
ATOM     31  C   LIG    1       -2.458  -3.565   1.803  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1       -3.660  -3.601   1.097  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -3.694  -3.228  -0.248  0.00  0.00    +0.007 A 
BRANCH  30  34
ATOM     34  C   LIG    1       -0.052  -3.139   1.904  0.00  0.00    +0.103 C 
ATOM     35  N   LIG    1        0.946  -3.146   2.497  0.00  0.00    -0.191 NA
ENDBRANCH  30  34
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 9