REMARK  Name = BDB015457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.439  -0.358  -0.455  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        0.845  -1.560  -0.471  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.478  -1.593  -0.215  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.199  -0.452   0.062  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -0.493   0.722  -0.005  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        0.815   0.811  -0.241  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.100  -2.941  -0.206  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.331  -3.124  -0.719  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.949  -4.365  -0.738  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -4.284  -4.462  -1.308  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.339  -5.515  -0.237  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -2.865  -6.625  -0.223  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -0.953  -5.336   0.303  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -0.262  -6.559   0.811  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -0.400  -4.112   0.299  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -1.054   1.994   0.275  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -0.274   2.655   0.221  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.264   2.503  -0.792  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -1.588   3.176  -1.879  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -3.188   1.416  -1.036  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.103   3.746   0.211  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -3.682   3.142   1.486  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -4.196   4.423  -0.610  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1        2.796  -0.374  -0.754  0.00  0.00    -0.420 OA
BRANCH  24  26
ATOM     25  C   LIG    1        3.865   1.040   0.893  0.00  0.00    +0.162 A 
ATOM     26  C   LIG    1        3.493   0.768  -0.431  0.00  0.00    +0.173 A 
ATOM     27  C   LIG    1        3.878   1.608  -1.481  0.00  0.00    +0.053 A 
ATOM     28  C   LIG    1        4.623   2.761  -1.218  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1        4.999   3.694  -2.330  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        4.965   3.058   0.107  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        4.596   2.201   1.153  0.00  0.00    +0.049 A 
BRANCH  25  33
ATOM     32  C   LIG    1        3.889   0.351   3.174  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        3.470   0.128   1.835  0.00  0.00    -0.491 OA
ENDBRANCH  25  33
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 7