REMARK  Name = BDB015438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.485   1.581  -0.625  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1        0.126   1.433  -1.885  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1        0.730   2.724  -2.261  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        0.177   3.642  -1.178  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -0.438   2.783  -0.143  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.441  -0.696   1.407  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.456  -0.208   0.008  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -2.093  -0.274  -0.716  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -1.047   0.499  -0.004  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -1.296   0.618   1.451  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -2.082  -0.595   1.984  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1       -5.477  -2.119   1.410  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -3.960  -2.062   1.552  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1        0.927   0.074  -2.480  0.00  0.00    +0.077 S 
ATOM     15  O   LIG    1        0.099  -1.108  -2.376  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        1.510   0.431  -3.760  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.279  -0.125  -1.331  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        2.082  -0.858  -0.158  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        3.142  -1.041   0.737  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        4.399  -0.501   0.453  0.00  0.00    +0.127 A 
ATOM     21  C   LIG    1        4.594   0.197  -0.744  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        3.541   0.385  -1.641  0.00  0.00    +0.032 A 
BRANCH  20  23
ATOM     23  O   LIG    1        5.514  -0.610   1.236  0.00  0.00    -0.434 OA
BRANCH  23  24
ATOM     24  C   LIG    1        5.304  -0.990   2.586  0.00  0.00    +0.541 C 
ATOM     25  F   LIG    1        6.484  -0.833   3.238  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        5.006  -2.312   2.637  0.00  0.00    -0.166 F 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 6