REMARK  Name = BDB030204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.121   0.247  -0.470  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.069  -0.178   0.093  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.103  -1.025   0.668  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.136   1.036  -1.414  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.835  -0.311   0.036  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -2.601   0.157  -0.448  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -1.386  -0.289   0.097  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1       -1.413  -1.215   1.140  0.00  0.00    +0.138 A 
ATOM      9  F   LIG    1       -0.268  -1.675   1.670  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1       -2.622  -1.692   1.654  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1       -2.625  -2.707   2.758  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -3.824  -1.242   1.089  0.00  0.00    +0.014 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -6.852   3.464  -1.339  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -6.593   1.993  -1.202  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -5.384   1.533  -0.657  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -5.104   0.160  -0.545  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -6.069  -0.749  -1.008  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -7.268  -0.303  -1.566  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -7.527   1.062  -1.667  0.00  0.00    +0.003 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  N   LIG    1        2.334   0.115  -0.720  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1        2.091   0.696  -1.540  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1        3.144  -1.290  -1.260  0.00  0.00    +0.045 S 
ATOM     23  O   LIG    1        2.863  -2.351  -0.315  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1        2.820  -1.424  -2.663  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.850  -0.778  -1.120  0.00  0.00    +0.191 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.481  -0.975   0.267  0.00  0.00    +0.025 C 
ATOM     27  C   LIG    1        4.756  -0.256   1.412  0.00  0.00    +0.086 C 
ATOM     28  N   LIG    1        4.768   1.198   1.294  0.00  0.00    -0.316 NA
ATOM     29  H   LIG    1        3.958   1.527   0.765  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        6.004   1.755   0.750  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1        7.202   0.823   0.903  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1        6.962  -0.537   0.239  0.00  0.00    +0.007 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6