REMARK  Name = BDB015569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.510   0.052   0.551  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        1.220   1.355   0.676  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.061   1.720   0.465  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.030   0.810   0.103  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -0.615  -0.494   0.019  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        0.640  -0.905   0.196  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.381   3.163   0.623  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1        0.561   4.074   0.312  0.00  0.00    +0.099 A 
ATOM      9  N   LIG    1        0.345   5.440   0.420  0.00  0.00    -0.316 N 
ATOM     10  C   LIG    1        1.429   6.339   0.053  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -0.866   5.978   0.867  0.00  0.00    +0.269 A 
ATOM     12  O   LIG    1       -1.086   7.184   0.952  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -1.906   4.967   1.248  0.00  0.00    +0.106 A 
ATOM     14 CL   LIG    1       -3.417   5.532   1.850  0.00  0.00    -0.078 Cl
ATOM     15  C   LIG    1       -1.655   3.656   1.127  0.00  0.00    +0.037 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -1.455  -1.561  -0.390  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -0.857  -2.391  -0.432  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.756  -1.905   0.633  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -2.300  -2.932   1.543  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -3.328  -0.670   1.128  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.940  -2.639  -0.514  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -3.402  -3.925  -1.133  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -4.364  -1.645  -1.590  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1        2.845  -0.271   0.767  0.00  0.00    -0.422 OA
BRANCH  24  27
ATOM     25  C   LIG    1        3.986  -1.516  -1.522  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1        3.716  -2.258  -0.244  0.00  0.00    -0.007 A 
ATOM     27  C   LIG    1        3.131  -1.615   0.861  0.00  0.00    +0.153 A 
ATOM     28  C   LIG    1        2.906  -2.314   2.055  0.00  0.00    +0.084 A 
ATOM     29 CL   LIG    1        2.263  -1.537   3.457  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1        3.218  -3.671   2.135  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        3.768  -4.326   1.033  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        4.018  -3.624  -0.148  0.00  0.00    +0.007 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6