REMARK  Name = BDB030224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.137  -0.589   0.014  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -1.312  -0.704  -0.989  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        0.146  -0.368   0.484  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        0.348   0.112   1.598  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.281  -0.720  -0.409  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        1.099  -1.217  -1.699  0.00  0.00    +0.136 A 
ATOM      7  F   LIG    1       -0.130  -1.400  -2.204  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        2.190  -1.531  -2.503  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        3.487  -1.349  -2.017  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.710  -0.850  -0.723  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        2.589  -0.540   0.070  0.00  0.00    +0.024 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.077  -0.654  -0.211  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        5.476   0.578   0.336  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        6.779   0.778   0.819  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        7.167   2.094   1.427  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        7.690  -0.280   0.778  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        7.315  -1.509   0.240  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        6.021  -1.693  -0.252  0.00  0.00    +0.008 A 
ENDBRANCH  10  12
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -2.259   0.112   0.790  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.871   0.543   1.647  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.069   1.311  -0.120  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -2.512   2.580   0.290  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -3.043   0.884  -1.505  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.729   1.173   0.525  0.00  0.00    +0.188 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.358  -0.184   0.229  0.00  0.00    +0.039 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -6.751  -0.327   0.841  0.00  0.00    +0.082 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -8.988   0.558   0.888  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1       -7.665   0.668   0.285  0.00  0.00    -0.319 NA
ATOM     29  H   LIG    1       -7.750   0.528  -0.723  0.00  0.00    +0.122 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 8