REMARK  Name = BDB015557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.647   0.104  -0.613  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.313  -0.886   0.216  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.095  -0.786   0.757  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.763   0.225   0.549  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.382   1.198  -0.299  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.844   1.174  -0.927  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.365   2.286  -0.540  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -2.675   1.981  -0.503  0.00  0.00    +0.099 A 
ATOM      9  N   LIG    1       -3.662   2.925  -0.719  0.00  0.00    -0.315 N 
ATOM     10  C   LIG    1       -5.050   2.489  -0.670  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.377   4.262  -0.992  0.00  0.00    +0.293 A 
ATOM     12  O   LIG    1       -4.240   5.112  -1.210  0.00  0.00    -0.264 OA
ATOM     13  C   LIG    1       -1.910   4.643  -1.005  0.00  0.00    +0.185 A 
ATOM     14  C   LIG    1       -1.000   3.675  -0.784  0.00  0.00    +0.062 A 
BRANCH  13  15
ATOM     15  O   LIG    1       -1.641   5.978  -1.238  0.00  0.00    -0.490 OA
ATOM     16  C   LIG    1       -0.287   6.404  -1.249  0.00  0.00    +0.277 C 
ENDBRANCH  13  15
ENDBRANCH   5   7
BRANCH   1  17
ATOM     17  N   LIG    1        2.911  -0.053  -1.225  0.00  0.00    -0.204 N 
ATOM     18  H   LIG    1        3.370   0.790  -1.564  0.00  0.00    +0.175 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.997  -1.257  -2.390  0.00  0.00    +0.044 S 
ATOM     20  O   LIG    1        1.701  -1.386  -3.024  0.00  0.00    -0.155 OA
ATOM     21  O   LIG    1        4.157  -0.921  -3.189  0.00  0.00    -0.155 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.356  -2.746  -1.458  0.00  0.00    +0.188 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.416  -2.608  -0.370  0.00  0.00    +0.024 C 
BRANCH  23  25
ATOM     24  C   LIG    1        6.862  -2.436   0.210  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        5.829  -2.381  -0.907  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   3  26
ATOM     26  O   LIG    1       -0.261  -1.835   1.597  0.00  0.00    -0.423 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -1.611  -1.979   1.834  0.00  0.00    +0.138 A 
ATOM     28  C   LIG    1       -2.147  -1.478   3.033  0.00  0.00    -0.008 A 
ATOM     29  C   LIG    1       -1.289  -0.752   4.028  0.00  0.00    +0.047 C 
ATOM     30  C   LIG    1       -3.520  -1.624   3.268  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -4.331  -2.282   2.343  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -3.781  -2.807   1.174  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -2.411  -2.679   0.912  0.00  0.00    -0.008 A 
ATOM     34  C   LIG    1       -1.841  -3.244  -0.358  0.00  0.00    +0.047 C 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 9