REMARK  Name = BDB001825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.557   1.383  -1.071  0.00  0.00    +0.139 C 
ATOM      2  S   LIG    1       -0.330   2.696  -1.609  0.00  0.00    -0.018 S 
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1        0.090   0.139  -0.729  0.00  0.00    -0.297 N 
ATOM      4  H   LIG    1        0.733  -0.600  -0.986  0.00  0.00    +0.154 HD
BRANCH   3   7
ATOM      5  C   LIG    1       -3.409   0.019   0.623  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -2.165   0.530   0.228  0.00  0.00    +0.069 A 
ATOM      7  C   LIG    1       -1.195  -0.297  -0.341  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -1.470  -1.663  -0.473  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -2.707  -2.180  -0.084  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -3.678  -1.339   0.460  0.00  0.00    +0.046 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -5.561   0.496   1.519  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -4.259   0.944   1.165  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
ENDBRANCH   3   7
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  N   LIG    1        1.921   1.528  -1.086  0.00  0.00    -0.295 N 
ATOM     14  H   LIG    1        2.227   2.346  -1.611  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.961   0.810  -0.449  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1        4.290   1.054  -0.852  0.00  0.00    +0.063 A 
ATOM     17 CL   LIG    1        4.644   2.180  -2.119  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        5.362   0.388  -0.253  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        5.114  -0.517   0.773  0.00  0.00    +0.019 A 
ATOM     20 BR   LIG    1        6.554  -1.423   1.595  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        3.812  -0.750   1.209  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        2.740  -0.083   0.605  0.00  0.00    +0.026 A 
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 5