REMARK  Name = BDB024449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.888  -0.161  -1.528  0.00  0.00    +0.172 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.192  -0.152   0.005  0.00  0.00    +0.241 C 
ATOM      3  N   LIG    1       -2.527  -0.267   0.372  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -3.022  -0.238   1.690  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -4.405  -0.422   1.691  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -5.134  -0.429   2.872  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -4.450  -0.243   4.073  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -3.061  -0.058   4.078  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -4.932  -0.621   0.308  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1       -2.337  -0.055   2.881  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -3.668  -0.452  -0.543  0.00  0.00    +0.118 C 
ATOM     12  O   LIG    1       -0.264  -0.049   0.816  0.00  0.00    -0.273 OA
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1       -0.812  -1.576  -2.090  0.00  0.00    -0.022 A 
ATOM     14  C   LIG    1       -0.212  -2.627  -1.377  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -0.153  -3.912  -1.920  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -0.678  -4.162  -3.186  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -1.254  -3.125  -3.916  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -1.316  -1.839  -3.375  0.00  0.00    +0.005 A 
ENDBRANCH   1  13
BRANCH   1  19
ATOM     19  N   LIG    1        0.388   0.541  -1.817  0.00  0.00    -0.302 NA
ATOM     20  H   LIG    1        1.073   0.186  -1.142  0.00  0.00    +0.123 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.276   1.994  -1.634  0.00  0.00    +0.086 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.615   2.702  -1.903  0.00  0.00    +0.050 C 
BRANCH  22  26
ATOM     23  C   LIG    1        4.680   1.670   0.942  0.00  0.00    +0.105 A 
ATOM     24  C   LIG    1        4.739   1.156  -0.355  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1        3.746   1.495  -1.275  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        2.699   2.354  -0.908  0.00  0.00    -0.046 A 
ATOM     27  C   LIG    1        2.660   2.871   0.395  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        3.650   2.535   1.320  0.00  0.00    +0.029 A 
BRANCH  23  29
ATOM     29  S   LIG    1        5.949   1.261   2.102  0.00  0.00    +0.056 S 
ATOM     30  O   LIG    1        5.960   2.238   3.166  0.00  0.00    -0.153 OA
ATOM     31  O   LIG    1        7.147   0.886   1.386  0.00  0.00    -0.153 OA
BRANCH  29  32
ATOM     32  N   LIG    1        5.358  -0.154   2.784  0.00  0.00    -0.204 NA
ATOM     33  H   LIG    1        5.987  -0.929   2.581  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        5.173  -0.013   3.777  0.00  0.00    +0.144 HD
ENDBRANCH  29  32
ENDBRANCH  23  29
ENDBRANCH  22  26
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 8