REMARK  Name = BDB002002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.608   1.266   0.989  0.00  0.00    -0.025 S 
ATOM      2  O   LIG    1        1.921   1.655   1.933  0.00  0.00    -0.161 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.817   2.143   1.682  0.00  0.00    +0.186 C 
BRANCH   3   6
ATOM      4  N   LIG    1       -2.730   0.662   1.676  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1       -2.289   0.309   2.518  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -2.096   1.698   1.011  0.00  0.00    +0.228 C 
ATOM      7  O   LIG    1       -2.461   2.232  -0.032  0.00  0.00    -0.275 OA
BRANCH   4  12
ATOM      8  C   LIG    1       -7.580  -2.119   0.417  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -6.300  -1.398   0.716  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1       -5.548  -1.721   1.848  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -4.371  -1.025   2.138  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -3.928   0.014   1.309  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1       -4.688   0.345   0.188  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -5.867  -0.352  -0.104  0.00  0.00    +0.005 A 
ENDBRANCH   4  12
ENDBRANCH   3   6
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1        0.741   2.236  -0.541  0.00  0.00    +0.186 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.936   1.806  -1.364  0.00  0.00    +0.224 C 
ATOM     17  N   LIG    1        3.159   1.920  -0.737  0.00  0.00    -0.312 N 
ATOM     18  H   LIG    1        3.159   1.906   0.285  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        1.819   1.441  -2.533  0.00  0.00    -0.275 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.377   1.464  -1.385  0.00  0.00    +0.135 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.511  -0.061  -1.371  0.00  0.00    +0.135 C 
ATOM     22  O   LIG    1        4.719  -0.534  -0.023  0.00  0.00    -0.375 OA
ATOM     23  C   LIG    1        5.705  -1.575  -0.052  0.00  0.00    +0.160 C 
ATOM     24  C   LIG    1        5.980  -1.885  -1.508  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1        5.707  -0.557  -2.168  0.00  0.00    +0.035 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7