REMARK  Name = BDB065410
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.371   0.498   2.121  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1       -2.554  -0.569   1.841  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1       -2.877  -1.749   1.855  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -1.178  -0.092   1.525  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -0.221  -0.964   1.179  0.00  0.00    +0.035 C 
ATOM      6  S   LIG    1       -1.117   1.622   1.640  0.00  0.00    -0.026 S 
ATOM      7  C   LIG    1       -2.810   1.743   2.081  0.00  0.00    +0.286 C 
ATOM      8  O   LIG    1       -3.351   2.810   2.323  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        1.124  -0.631   0.843  0.00  0.00    +0.015 A 
ATOM     10  S   LIG    1        1.892  -1.507  -0.427  0.00  0.00    -0.074 S 
ATOM     11  C   LIG    1        3.377  -0.665  -0.256  0.00  0.00    +0.070 A 
ATOM     12  C   LIG    1        3.276   0.289   0.735  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        2.003   0.291   1.379  0.00  0.00    +0.017 A 
BRANCH  11  14
ATOM     14  N   LIG    1        4.407  -0.959  -1.087  0.00  0.00    -0.309 N 
ATOM     15  H   LIG    1        4.197  -1.573  -1.870  0.00  0.00    +0.153 HD
BRANCH  14  16
ATOM     16  C   LIG    1        5.790  -0.771  -0.898  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        6.384  -0.587   0.358  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        7.760  -0.359   0.484  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        8.558  -0.304  -0.663  0.00  0.00    +0.126 A 
ATOM     20  C   LIG    1        7.989  -0.477  -1.928  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        6.612  -0.706  -2.036  0.00  0.00    +0.025 A 
BRANCH  19  22
ATOM     22  N   LIG    1       10.001  -0.064  -0.538  0.00  0.00    +0.056 N 
ATOM     23  O   LIG    1       10.463   0.096   0.601  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1       10.673  -0.035  -1.580  0.00  0.00    -0.126 OA
ENDBRANCH  19  22
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   5   9
BRANCH   1  25
ATOM     25  C   LIG    1       -4.776   0.319   2.420  0.00  0.00    +0.152 C 
BRANCH  25  30
ATOM     26  C   LIG    1       -7.972   0.497  -2.451  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -7.132   0.455  -1.209  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1       -6.628  -0.761  -0.736  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -5.871  -0.806   0.437  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -5.619   0.363   1.167  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1       -6.130   1.579   0.694  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -6.886   1.623  -0.479  0.00  0.00    +0.003 A 
ENDBRANCH  25  30
ENDBRANCH   1  25
TORSDOF 6