REMARK  Name = BDB015568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.471  -0.445   1.012  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        1.332   0.786   1.524  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.372   1.563   0.985  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.401   1.145  -0.076  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -0.169  -0.135  -0.508  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        0.776  -0.940  -0.024  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.233   2.915   1.580  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -0.989   3.450   1.766  0.00  0.00    +0.099 A 
ATOM      9  N   LIG    1       -1.173   4.706   2.326  0.00  0.00    -0.316 N 
ATOM     10  C   LIG    1       -2.535   5.197   2.484  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -0.107   5.505   2.755  0.00  0.00    +0.269 A 
ATOM     12  O   LIG    1       -0.250   6.623   3.245  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1        1.252   4.898   2.579  0.00  0.00    +0.106 A 
ATOM     14 CL   LIG    1        2.626   5.795   3.100  0.00  0.00    -0.078 Cl
ATOM     15  C   LIG    1        1.384   3.684   2.030  0.00  0.00    +0.037 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -0.831  -0.723  -1.617  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -0.405  -1.646  -1.737  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.500  -0.928  -1.451  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -2.699  -2.238  -0.872  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -3.077   0.252  -0.839  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.038  -0.972  -3.173  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -2.446  -2.164  -3.918  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -2.724   0.337  -3.890  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1        2.493  -1.202   1.571  0.00  0.00    -0.420 OA
BRANCH  24  27
ATOM     25  C   LIG    1        4.569  -2.570   0.203  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1        3.386  -3.280   0.793  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1        2.369  -2.566   1.446  0.00  0.00    +0.170 A 
ATOM     28  C   LIG    1        1.291  -3.245   2.021  0.00  0.00    +0.166 A 
ATOM     29  F   LIG    1        0.345  -2.572   2.692  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1        1.186  -4.628   1.919  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        2.175  -5.344   1.249  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        3.271  -4.675   0.694  0.00  0.00    +0.007 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6