REMARK  Name = BDB029749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.717  -0.026   0.202  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.576   0.546  -0.334  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.633   1.382  -0.923  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -2.656  -0.786   1.167  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -6.449  -0.031  -0.471  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -5.183  -0.307   0.074  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -4.024   0.313  -0.421  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -4.141   1.221  -1.472  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -3.053   1.836  -1.964  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -5.391   1.502  -2.022  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -5.537   2.621  -3.325  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -6.540   0.882  -1.528  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1      -11.089  -1.493   0.538  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -9.657  -1.344   0.516  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -8.940  -0.478  -0.263  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -7.620  -0.702   0.072  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -7.537  -1.684   1.034  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -8.775  -2.049   1.279  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -0.315   0.446   0.532  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.500  -0.172   1.340  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        0.256   1.953   1.085  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1       -0.178   2.089   2.457  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -0.107   2.937   0.085  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.037   1.723   1.058  0.00  0.00    +0.152 C 
ATOM     25  C   LIG    1        2.548   1.445  -0.355  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1        4.061   1.269  -0.363  0.00  0.00    +0.113 C 
ATOM     27  N   LIG    1        4.504   0.296   0.631  0.00  0.00    -0.267 N 
ATOM     28  C   LIG    1        5.694  -0.410   0.473  0.00  0.00    +0.403 C 
ATOM     29  O   LIG    1        6.226  -1.047   1.373  0.00  0.00    -0.226 OA
ATOM     30  C   LIG    1        3.995   0.457   1.987  0.00  0.00    +0.113 C 
ATOM     31  C   LIG    1        2.482   0.617   2.015  0.00  0.00    +0.047 C 
BRANCH  28  32
ATOM     32  O   LIG    1        6.189  -0.309  -0.787  0.00  0.00    -0.445 OA
BRANCH  32  33
ATOM     33  C   LIG    1        7.417  -0.980  -1.169  0.00  0.00    +0.107 C 
ATOM     34  C   LIG    1        7.281  -2.502  -1.055  0.00  0.00    +0.055 C 
ATOM     35  C   LIG    1        7.613  -0.615  -2.648  0.00  0.00    +0.055 C 
ATOM     36  C   LIG    1        8.614  -0.448  -0.373  0.00  0.00    +0.055 C 
ENDBRANCH  32  33
ENDBRANCH  28  32
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 7