REMARK  Name = BDB030180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.747  -0.701   0.313  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.910  -0.926  -0.672  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -0.514  -0.326   0.743  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -0.675   0.294   1.793  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.677  -0.683  -0.110  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -1.542  -1.354  -1.325  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -0.325  -1.699  -1.776  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -2.669  -1.668  -2.083  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -2.504  -2.500  -3.582  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -3.940  -1.312  -1.634  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -4.102  -0.633  -0.418  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -2.961  -0.324   0.337  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -5.442  -0.274   0.021  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -6.575  -0.623  -0.680  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -7.583  -0.133   0.006  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -7.149   0.519   1.122  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -7.988   1.175   2.092  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -5.785   0.440   1.151  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        1.921  -0.005   1.023  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        1.575   0.479   1.870  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.737   1.141   0.045  0.00  0.00    +0.077 S 
ATOM     22  O   LIG    1        2.462   0.764  -1.329  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        2.421   2.463   0.531  0.00  0.00    -0.152 OA
BRANCH  21  26
ATOM     24  C   LIG    1        6.609   0.138  -0.397  0.00  0.00    +0.140 A 
ATOM     25  C   LIG    1        5.266   0.393  -0.659  0.00  0.00    +0.078 A 
ATOM     26  C   LIG    1        4.419   0.803   0.376  0.00  0.00    +0.147 A 
ATOM     27  C   LIG    1        4.947   0.950   1.641  0.00  0.00    +0.156 A 
ATOM     28 CL   LIG    1        4.066   1.423   3.039  0.00  0.00    -0.060 Cl
ATOM     29  N   LIG    1        6.249   0.706   1.929  0.00  0.00    -0.238 NA
ATOM     30  C   LIG    1        7.048   0.309   0.908  0.00  0.00    +0.158 A 
BRANCH  24  32
ATOM     31  C   LIG    1        8.731  -0.517  -1.234  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        7.351  -0.257  -1.470  0.00  0.00    -0.494 OA
ENDBRANCH  24  32
ENDBRANCH  21  26
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6