REMARK  Name = BDB030059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.346  -0.598  -0.361  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.508  -0.158  -0.971  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.538   0.750  -1.441  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.367  -1.477   0.498  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.375   0.112  -0.552  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.131  -0.446  -0.210  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        0.936   0.037  -0.769  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        0.995   1.091  -1.680  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.130   1.580  -2.227  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        2.224   1.651  -2.029  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        2.298   2.951  -3.158  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        3.409   1.168  -1.471  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.065  -0.648   0.902  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        6.644  -0.757   0.689  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        5.864   0.088  -0.050  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        4.586  -0.424   0.051  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        4.591  -1.556   0.833  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        5.839  -1.731   1.201  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -2.818  -0.571  -0.280  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -2.620  -1.278   0.450  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.648   0.734   0.457  0.00  0.00    +0.076 S 
ATOM     22  O   LIG    1       -3.266   1.926  -0.276  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -3.464   0.640   1.887  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -5.325   0.372   0.082  0.00  0.00    +0.142 A 
ATOM     25  C   LIG    1       -5.862  -0.833   0.513  0.00  0.00    +0.150 A 
ATOM     26  F   LIG    1       -5.119  -1.721   1.187  0.00  0.00    -0.203 F 
ATOM     27  C   LIG    1       -7.191  -1.145   0.238  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -7.983  -0.241  -0.473  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -7.443   0.972  -0.907  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -6.110   1.284  -0.630  0.00  0.00    +0.031 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5