REMARK  Name = BDB030057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.090   1.844   0.407  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.587   1.306  -0.767  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -2.492   1.685  -1.040  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -1.649   2.802   0.934  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.408   0.434   0.774  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.251   0.989   0.207  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        0.128   1.264   1.000  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        0.160   1.011   2.368  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.915   1.263   3.131  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        1.306   0.465   2.940  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        1.367   0.135   4.631  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        2.425   0.175   2.152  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        6.833  -0.971  -0.990  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        5.489  -0.471  -0.861  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        4.760  -0.392   0.293  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        3.547   0.147  -0.085  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        3.539   0.391  -1.442  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        4.718   0.010  -1.878  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.300  -0.117  -1.152  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -1.115  -0.322  -2.139  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.079  -1.399  -0.349  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1       -1.526  -1.504   0.983  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -2.078  -2.516  -1.268  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.752  -0.812  -0.212  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1       -4.152  -0.124   0.941  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1       -5.468   0.328   1.047  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -6.367   0.075   0.015  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1       -7.630   0.509   0.121  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -5.978  -0.624  -1.124  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1       -4.663  -1.077  -1.242  0.00  0.00    +0.031 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5