REMARK  Name = BDB000180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.147  -0.748   0.005  0.00  0.00    +0.134 A 
ATOM      2  S   LIG    1        2.360   0.408   0.406  0.00  0.00    -0.030 S 
ATOM      3  C   LIG    1        3.520  -0.680  -0.190  0.00  0.00    +0.188 A 
ATOM      4  N   LIG    1        3.023  -1.808  -0.642  0.00  0.00    -0.125 NA
ATOM      5  N   LIG    1        1.649  -1.848  -0.531  0.00  0.00    -0.140 NA
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -3.081  -0.193   0.653  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -2.183   0.815   1.006  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -0.806   0.658   0.807  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -0.290  -0.518   0.243  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -1.207  -1.523  -0.111  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -2.586  -1.365   0.089  0.00  0.00    +0.046 A 
BRANCH   6  12
ATOM     12  O   LIG    1       -4.390   0.102   0.902  0.00  0.00    -0.492 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -5.386  -0.883   0.638  0.00  0.00    +0.229 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.856  -0.865  -0.819  0.00  0.00    +0.041 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -5.949   1.670  -1.205  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -6.707   0.353  -1.194  0.00  0.00    -0.000 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  N   LIG    1        4.869  -0.429  -0.202  0.00  0.00    -0.262 N 
ATOM     18  H   LIG    1        5.411  -1.189  -0.591  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1        5.504   0.717   0.226  0.00  0.00    +0.235 C 
ATOM     20  O   LIG    1        4.967   1.725   0.678  0.00  0.00    -0.274 OA
BRANCH  19  21
ATOM     21  C   LIG    1        7.043   0.634   0.069  0.00  0.00    +0.135 C 
ATOM     22  C   LIG    1        7.637  -0.366   1.054  0.00  0.00    +0.033 C 
BRANCH  21  23
ATOM     23  N   LIG    1        7.649   1.960   0.293  0.00  0.00    -0.320 NA
ATOM     24  H   LIG    1        7.364   2.282   1.223  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1        7.191   2.628  -0.333  0.00  0.00    +0.119 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   3  17
TORSDOF 8