REMARK  Name = BDB057367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.685   0.052  -0.428  0.00  0.00    +0.087 A 
ATOM      2  C   LIG    1        0.766  -0.282  -0.288  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1        1.326  -1.083   0.690  0.00  0.00    +0.146 A 
ATOM      4  N   LIG    1        2.666  -1.244   0.817  0.00  0.00    -0.204 NA
ATOM      5  C   LIG    1        3.462  -0.645  -0.080  0.00  0.00    +0.190 A 
ATOM      6  N   LIG    1        3.020   0.097  -1.098  0.00  0.00    -0.230 NA
ATOM      7  N   LIG    1        0.595  -1.828   1.610  0.00  0.00    -0.321 N 
ATOM      8  H   LIG    1        1.229  -2.373   2.180  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -0.608  -2.383   1.395  0.00  0.00    +0.180 A 
ATOM     10  N   LIG    1       -0.982  -3.542   1.947  0.00  0.00    -0.154 NA
ATOM     11  N   LIG    1       -2.219  -3.746   1.462  0.00  0.00    -0.278 N 
ATOM     12  H   LIG    1       -2.716  -4.579   1.756  0.00  0.00    +0.189 HD
ATOM     13  C   LIG    1       -2.656  -2.760   0.624  0.00  0.00    +0.060 A 
ATOM     14  C   LIG    1       -4.001  -2.763   0.013  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1       -1.620  -1.859   0.566  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1        1.683   0.262  -1.173  0.00  0.00    +0.127 A 
ATOM     17  N   LIG    1       -1.730  -0.646  -0.099  0.00  0.00    -0.241 NA
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -0.539   2.590  -0.536  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1       -1.025   1.376  -1.057  0.00  0.00    +0.043 A 
ATOM     20  C   LIG    1       -1.875   1.364  -2.173  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -2.219   2.560  -2.797  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -1.725   3.765  -2.302  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -0.892   3.782  -1.177  0.00  0.00    +0.046 A 
BRANCH  18  25
ATOM     24  C   LIG    1        0.711   3.728   1.151  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        0.252   2.510   0.578  0.00  0.00    -0.494 OA
ENDBRANCH  18  25
ENDBRANCH   1  19
BRANCH   5  26
ATOM     26  S   LIG    1        5.222  -0.837   0.052  0.00  0.00    -0.089 S 
ATOM     27  C   LIG    1        5.322  -1.979   1.451  0.00  0.00    +0.093 C 
ENDBRANCH   5  26
TORSDOF 3