REMARK  Name = BDB023376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -2.220   0.170  -2.512  0.00  0.00    +0.078 S 
ATOM      2  O   LIG    1       -2.244   1.181  -3.546  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -2.950  -1.070  -2.684  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1       -3.875   2.703   0.184  0.00  0.00    -0.043 A 
ATOM      5  C   LIG    1       -3.422   2.118  -1.009  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -2.766   0.880  -0.987  0.00  0.00    +0.150 A 
ATOM      7  C   LIG    1       -2.562   0.207   0.219  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1       -2.988   0.793   1.411  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -3.647   2.025   1.392  0.00  0.00    +0.007 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -3.770   5.123   0.878  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -4.576   4.050   0.143  0.00  0.00    +0.013 C 
ATOM     12  C   LIG    1       -6.000   3.962   0.696  0.00  0.00    +0.012 C 
ENDBRANCH   4  11
BRANCH   7  13
ATOM     13  O   LIG    1       -1.854  -0.964   0.248  0.00  0.00    -0.490 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -2.666  -2.071   0.660  0.00  0.00    +0.232 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.853  -3.316   0.472  0.00  0.00    +0.027 C 
ATOM     16  C   LIG    1       -2.528  -4.644   0.251  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1       -1.775  -3.988  -0.875  0.00  0.00    +0.007 C 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   7  13
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  N   LIG    1       -0.640  -0.263  -2.243  0.00  0.00    -0.179 N 
ATOM     19  H   LIG    1       -0.553  -1.261  -2.093  0.00  0.00    +0.177 HD
ATOM     20  C   LIG    1        0.326   0.621  -1.746  0.00  0.00    +0.298 C 
ATOM     21  O   LIG    1        0.126   1.822  -1.648  0.00  0.00    -0.265 OA
BRANCH  20  22
ATOM     22  C   LIG    1        1.554  -0.041  -1.347  0.00  0.00    +0.192 A 
ATOM     23  O   LIG    1        2.529   0.727  -0.758  0.00  0.00    -0.450 OA
ATOM     24  C   LIG    1        3.576  -0.086  -0.462  0.00  0.00    +0.139 A 
ATOM     25  C   LIG    1        3.300  -1.384  -0.852  0.00  0.00    +0.056 A 
ATOM     26  C   LIG    1        4.281  -2.352  -0.617  0.00  0.00    +0.134 A 
ATOM     27  C   LIG    1        5.488  -1.987  -0.007  0.00  0.00    +0.043 A 
ATOM     28  C   LIG    1        5.762  -0.662   0.387  0.00  0.00    -0.038 A 
ATOM     29  F   LIG    1        4.077  -3.629  -0.968  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        4.767   0.311   0.147  0.00  0.00    +0.051 A 
ATOM     31  C   LIG    1        2.000  -1.352  -1.423  0.00  0.00    +0.066 A 
BRANCH  28  32
ATOM     32  C   LIG    1        7.064  -0.242   1.049  0.00  0.00    +0.019 C 
ATOM     33  C   LIG    1        8.379  -0.875   0.664  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        7.782  -1.153   2.014  0.00  0.00    +0.009 C 
ENDBRANCH  28  32
ENDBRANCH  20  22
ENDBRANCH   1  18
TORSDOF 8