REMARK  Name = BDB015429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.836  -3.381   0.014  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1        1.269  -3.454  -1.324  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1        2.475  -4.294  -1.366  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        2.418  -4.951   0.008  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1        1.475  -4.158   0.831  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -2.037  -0.517   0.950  0.00  0.00    -0.297 NA
ATOM      7  C   LIG    1       -1.472  -1.238   2.095  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -0.162  -1.982   1.733  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -0.158  -2.513   0.351  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -1.515  -2.751  -0.162  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -2.332  -1.433  -0.173  0.00  0.00    +0.103 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -3.089   0.457   1.286  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -4.382  -0.177   1.819  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -3.352   1.388   0.077  0.00  0.00    +0.018 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.221   2.604   0.420  0.00  0.00    +0.001 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -3.186   4.249  -1.238  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -4.447   3.540  -0.771  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  S   LIG    1        1.191  -2.238  -2.488  0.00  0.00    +0.077 S 
ATOM     19  O   LIG    1       -0.174  -1.790  -2.669  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1        1.950  -2.687  -3.643  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.112  -0.899  -1.756  0.00  0.00    +0.109 A 
ATOM     22  C   LIG    1        3.483  -0.784  -1.995  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        4.193   0.285  -1.443  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        3.541   1.256  -0.665  0.00  0.00    -0.045 A 
ATOM     25  C   LIG    1        2.157   1.138  -0.461  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        1.443   0.073  -1.011  0.00  0.00    +0.029 A 
BRANCH  24  27
ATOM     27  C   LIG    1        4.337   2.408  -0.077  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1        4.280   2.409   1.453  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        3.876   3.755  -0.641  0.00  0.00    +0.012 C 
ENDBRANCH  24  27
ENDBRANCH  18  21
ENDBRANCH   2  18
TORSDOF 8