REMARK  Name = BDB030157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.217   2.324   4.040  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -1.465   3.297   4.227  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -2.093   1.704   3.167  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -3.183   2.198   2.894  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.682   0.446   2.513  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -1.113  -0.599   3.234  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -0.960  -0.507   4.565  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -0.708  -1.754   2.569  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        0.025  -3.049   3.437  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -0.887  -1.879   1.188  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -1.487  -0.845   0.456  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -1.887   0.317   1.133  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -1.694  -0.939  -0.979  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -1.955   0.156  -1.774  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -2.119  -0.318  -2.988  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -1.956  -1.672  -3.015  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -2.067  -2.503  -4.186  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -1.683  -2.088  -1.743  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.268   2.045   3.940  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        0.749   1.839   4.823  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.197   3.089   2.962  0.00  0.00    +0.076 S 
ATOM     22  O   LIG    1        2.412   3.394   3.682  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        0.313   4.137   2.494  0.00  0.00    -0.152 OA
BRANCH  21  28
ATOM     24  C   LIG    1        2.131   0.271  -0.483  0.00  0.00    +0.123 A 
ATOM     25  C   LIG    1        2.578  -0.007   0.810  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1        2.303   0.874   1.851  0.00  0.00    +0.153 A 
ATOM     27  F   LIG    1        2.711   0.556   3.087  0.00  0.00    -0.203 F 
ATOM     28  C   LIG    1        1.586   2.037   1.611  0.00  0.00    +0.142 A 
ATOM     29  C   LIG    1        1.142   2.336   0.322  0.00  0.00    +0.035 A 
ATOM     30  C   LIG    1        1.416   1.448  -0.725  0.00  0.00    +0.048 A 
BRANCH  24  31
ATOM     31  O   LIG    1        2.443  -0.685  -1.410  0.00  0.00    -0.492 OA
BRANCH  31  33
ATOM     32  C   LIG    1        2.370  -1.673  -3.577  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1        2.009  -0.453  -2.749  0.00  0.00    +0.225 C 
ENDBRANCH  31  33
ENDBRANCH  24  31
ENDBRANCH  21  28
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7