REMARK  Name = BDB003058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.051  -1.627   1.214  0.00  0.00    +0.051 A 
ATOM      2  N   LIG    1        0.125  -0.809   0.576  0.00  0.00    -0.244 NA
ATOM      3  C   LIG    1       -0.687  -1.518  -0.187  0.00  0.00    +0.109 A 
ATOM      4  S   LIG    1       -0.382  -3.215  -0.161  0.00  0.00    -0.075 S 
ATOM      5  C   LIG    1        0.920  -2.970   0.919  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.791  -0.936  -0.975  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -2.297   0.322  -0.607  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -3.338   0.921  -1.322  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.888   0.272  -2.424  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -3.396  -0.973  -2.810  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.355  -1.572  -2.093  0.00  0.00    +0.010 A 
ENDBRANCH   3   6
BRANCH   1  12
ATOM     12  C   LIG    1        2.092  -1.023   2.115  0.00  0.00    +0.074 C 
BRANCH  12  13
ATOM     13  C   LIG    1        1.685   0.325   2.716  0.00  0.00    +0.110 C 
BRANCH  13  16
ATOM     14  C   LIG    1        2.425   2.921   0.066  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        2.689   2.032   1.251  0.00  0.00    +0.210 C 
ATOM     16  N   LIG    1        1.576   1.368   1.710  0.00  0.00    -0.315 N 
ATOM     17  H   LIG    1        0.812   1.232   1.053  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        3.807   1.911   1.742  0.00  0.00    -0.276 OA
ENDBRANCH  13  16
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 4