REMARK  Name = BDB041516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.021   0.713  -2.093  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.659   1.467  -2.011  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.352  -0.550  -1.617  0.00  0.00    +0.282 C 
ATOM      4  O   LIG    1        0.412  -1.486  -1.453  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.806  -0.631  -1.281  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -2.500   0.540  -1.340  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1       -3.804   0.490  -0.994  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1       -4.462  -0.678  -0.607  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -3.712  -1.864  -0.568  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.364  -1.844  -0.906  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -4.552   1.647  -1.063  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1       -3.776   2.821  -1.279  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1       -5.913  -0.672  -0.206  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -6.067  -0.814   1.237  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -5.774   0.215   2.059  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -6.046  -0.263   3.276  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -6.515  -1.588   3.239  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.522  -1.919   1.904  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        1.584   1.225  -2.328  0.00  0.00    +0.096 S 
ATOM     20  O   LIG    1        1.508   2.670  -2.443  0.00  0.00    -0.148 OA
ATOM     21  O   LIG    1        2.124   0.434  -3.417  0.00  0.00    -0.148 OA
BRANCH  19  23
ATOM     22  C   LIG    1        1.888   1.147   0.434  0.00  0.00    +0.165 A 
ATOM     23  C   LIG    1        2.447   0.851  -0.805  0.00  0.00    +0.239 A 
ATOM     24  N   LIG    1        3.676   0.289  -0.998  0.00  0.00    -0.228 NA
ATOM     25  C   LIG    1        4.409  -0.034   0.091  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        3.922   0.220   1.372  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        2.663   0.813   1.540  0.00  0.00    +0.051 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.771  -0.680  -0.182  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        6.572  -1.032   1.087  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1        6.622   0.292  -1.025  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        5.552  -1.981  -0.980  0.00  0.00    +0.017 C 
ENDBRANCH  25  28
BRANCH  22  33
ATOM     32  C   LIG    1        0.105   2.001   1.770  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        0.656   1.729   0.486  0.00  0.00    -0.492 OA
ENDBRANCH  22  33
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8