REMARK  Name = BDB058525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.417  -1.567   1.459  0.00  0.00    +0.231 A 
ATOM      2  C   LIG    1       -1.716  -2.621   1.985  0.00  0.00    +0.134 A 
ATOM      3  C   LIG    1       -0.399  -2.675   1.607  0.00  0.00    +0.132 A 
ATOM      4  N   LIG    1        0.181  -1.774   0.790  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -0.580  -0.773   0.327  0.00  0.00    +0.223 A 
ATOM      6  N   LIG    1       -1.877  -0.644   0.642  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.329  -3.620   2.890  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -3.366  -4.293   2.321  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -2.811  -3.078   4.041  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -1.449  -4.585   3.287  0.00  0.00    -0.166 F 
ENDBRANCH   2   7
BRANCH   5  11
ATOM     11  N   LIG    1       -0.077   0.219  -0.507  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -0.813   0.880  -0.710  0.00  0.00    +0.155 HD
BRANCH  11  13
ATOM     13  C   LIG    1        1.175   0.471  -1.077  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        1.347   1.653  -1.819  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        2.574   1.979  -2.404  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        3.656   1.115  -2.249  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        3.514  -0.068  -1.525  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        2.279  -0.380  -0.943  0.00  0.00    +0.024 A 
BRANCH  16  19
ATOM     19  S   LIG    1        5.227   1.520  -2.976  0.00  0.00    +0.077 S 
ATOM     20  O   LIG    1        5.111   2.845  -3.551  0.00  0.00    -0.243 OA
ATOM     21  N   LIG    1        5.684   0.273  -3.751  0.00  0.00    -0.248 NA
ATOM     22  H   LIG    1        5.080   0.117  -4.559  0.00  0.00    +0.197 HD
BRANCH  19  23
ATOM     23  C   LIG    1        6.339   1.634  -1.538  0.00  0.00    +0.092 C 
ATOM     24  C   LIG    1        6.333   2.961  -0.829  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1        7.487   2.591  -1.724  0.00  0.00    +0.019 C 
ENDBRANCH  19  23
ENDBRANCH  16  19
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  26
ATOM     26  O   LIG    1       -3.745  -1.461   1.812  0.00  0.00    -0.470 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.483  -0.383   1.212  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1       -4.317   0.886   2.052  0.00  0.00    +0.055 C 
BRANCH  27  30
ATOM     29  C   LIG    1       -6.627  -1.117   2.448  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -5.961  -0.832   1.104  0.00  0.00    +0.152 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -6.721   0.158   0.408  0.00  0.00    -0.388 OA
ATOM     32  H   LIG    1       -7.631  -0.175   0.328  0.00  0.00    +0.210 HD
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9