REMARK  Name = BDB033392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.718   2.360   0.227  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1        0.340   3.291   0.406  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -3.003  -0.882  -2.773  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.068  -0.066  -1.919  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.284   0.171  -0.533  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.352   0.940   0.181  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -1.802   1.009   1.484  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -1.284   1.448   2.240  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -2.975   0.323   1.627  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -0.206   1.484  -0.417  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -0.033   1.280  -1.786  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -3.304  -0.204   0.398  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -0.932   0.510  -2.519  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -4.474  -0.988   0.149  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -5.424  -1.623  -0.056  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        1.566   1.808   1.577  0.00  0.00    +0.080 S 
ATOM     17  O   LIG    1        2.623   2.760   1.835  0.00  0.00    -0.149 OA
ATOM     18  O   LIG    1        0.601   1.487   2.611  0.00  0.00    -0.149 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.360   0.290   1.187  0.00  0.00    +0.166 A 
ATOM     20  S   LIG    1        3.458   0.282  -0.123  0.00  0.00    -0.043 S 
ATOM     21  C   LIG    1        3.748  -1.405   0.130  0.00  0.00    +0.183 A 
ATOM     22  N   LIG    1        3.067  -1.935   1.135  0.00  0.00    -0.242 NA
ATOM     23  C   LIG    1        2.281  -0.969   1.736  0.00  0.00    +0.148 A 
BRANCH  21  24
ATOM     24  C   LIG    1        4.713  -2.121  -0.777  0.00  0.00    +0.441 C 
ATOM     25  F   LIG    1        4.837  -3.442  -0.479  0.00  0.00    -0.164 F 
ATOM     26  F   LIG    1        5.965  -1.592  -0.713  0.00  0.00    -0.164 F 
ATOM     27  F   LIG    1        4.332  -2.054  -2.082  0.00  0.00    -0.164 F 
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5