REMARK  Name = BDB043867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.491   0.958  -0.858  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1        1.514   1.946  -0.953  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        0.152   1.607  -0.921  0.00  0.00    -0.038 A 
ATOM      4  C   LIG    1       -0.871   2.709  -0.999  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -0.218   0.245  -0.828  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.776  -0.758  -0.746  0.00  0.00    -0.038 A 
ATOM      7  C   LIG    1        0.423  -2.218  -0.628  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        2.129  -0.387  -0.772  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -1.623  -0.130  -0.815  0.00  0.00    +0.081 A 
ATOM     10  N   LIG    1       -2.280  -0.437   0.362  0.00  0.00    -0.225 NA
ATOM     11  C   LIG    1       -3.534  -0.722   0.106  0.00  0.00    +0.165 A 
ATOM     12  S   LIG    1       -3.972  -0.718  -1.543  0.00  0.00    -0.060 S 
ATOM     13  C   LIG    1       -2.385  -0.229  -1.962  0.00  0.00    +0.076 A 
BRANCH  11  14
ATOM     14  N   LIG    1       -4.387  -1.106   1.107  0.00  0.00    -0.261 N 
ATOM     15  H   LIG    1       -3.903  -1.389   1.949  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1       -5.727  -1.387   1.087  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1       -6.216  -2.144   1.924  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -6.653  -0.712   0.159  0.00  0.00    +0.043 A 
ATOM     19  C   LIG    1       -6.632   0.673   0.015  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1       -7.558   1.234  -0.838  0.00  0.00    +0.214 A 
ATOM     21  F   LIG    1       -7.547   2.564  -1.005  0.00  0.00    -0.184 F 
ATOM     22  N   LIG    1       -8.484   0.529  -1.522  0.00  0.00    -0.228 NA
ATOM     23  C   LIG    1       -8.500  -0.807  -1.330  0.00  0.00    +0.114 A 
ATOM     24  C   LIG    1       -7.617  -1.472  -0.501  0.00  0.00    +0.033 A 
ENDBRANCH  16  18
ENDBRANCH  11  14
ENDBRANCH   5   9
BRANCH   1  25
ATOM     25  O   LIG    1        3.804   1.367  -0.924  0.00  0.00    -0.456 OA
BRANCH  25  29
ATOM     26  C   LIG    1        6.569  -0.083   1.848  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1        6.883   0.007   0.491  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.936   0.490  -0.418  0.00  0.00    +0.050 A 
ATOM     29  C   LIG    1        4.670   0.872   0.024  0.00  0.00    +0.129 A 
ATOM     30  C   LIG    1        4.357   0.807   1.382  0.00  0.00    +0.050 A 
ATOM     31  C   LIG    1        5.305   0.323   2.287  0.00  0.00    +0.049 A 
BRANCH  26  33
ATOM     32  C   LIG    1        8.698  -0.954   2.446  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        7.397  -0.535   2.838  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  25  29
ENDBRANCH   1  25
TORSDOF 6