REMARK  Name = BDB018236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.603  -3.533   3.656  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.143  -2.908   2.575  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -1.428  -3.345   2.298  0.00  0.00    +0.253 A 
ATOM      4  O   LIG    1       -2.026  -4.222   2.914  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -2.111  -2.661   1.174  0.00  0.00    +0.094 A 
ATOM      6  C   LIG    1       -1.519  -1.695   0.447  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1       -0.106  -1.353   0.747  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        0.490  -1.960   1.794  0.00  0.00    +0.099 A 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1       -2.206  -0.989  -0.552  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1       -2.468   0.462  -0.435  0.00  0.00    +0.131 C 
ATOM     11  C   LIG    1       -3.438   0.759  -1.563  0.00  0.00    +0.149 C 
ATOM     12  C   LIG    1       -4.233  -0.526  -1.691  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -3.163  -1.593  -1.491  0.00  0.00    +0.107 C 
BRANCH  11  14
ATOM     14  S   LIG    1       -4.392   2.221  -1.288  0.00  0.00    -0.029 S 
ATOM     15  O   LIG    1       -5.249   2.401  -2.446  0.00  0.00    -0.174 OA
ATOM     16  O   LIG    1       -3.474   3.272  -0.889  0.00  0.00    -0.174 OA
ATOM     17  C   LIG    1       -5.457   1.896   0.102  0.00  0.00    +0.194 C 
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   7  18
ATOM     18  C   LIG    1        0.655  -0.465  -0.084  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        1.461   0.572   0.333  0.00  0.00    +0.117 A 
ATOM     20  N   LIG    1        1.988   1.123  -0.804  0.00  0.00    -0.267 N 
ATOM     21  N   LIG    1        1.566   0.517  -1.936  0.00  0.00    -0.179 NA
ATOM     22  C   LIG    1        0.765  -0.455  -1.491  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1        2.877   2.276  -0.882  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.253   1.961  -0.348  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1        4.729   2.586   0.814  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        6.004   2.293   1.303  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.814   1.376   0.637  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.353   0.750  -0.520  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.080   1.042  -1.011  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   7  18
TORSDOF 5