REMARK  Name = BDB015493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.317   1.944  -0.145  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        0.001   2.229  -0.199  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.831   1.218  -0.493  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        0.457  -0.047  -0.731  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1       -0.853  -0.277  -0.647  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1       -1.802   0.678  -0.388  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -5.507   3.837   2.057  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -4.261   3.950   1.239  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.920   5.311   0.713  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -4.670   6.260   0.932  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -2.731   5.401  -0.008  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -2.316   6.692  -0.536  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -1.925   4.302  -0.258  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1       -2.234   3.067   0.179  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -3.446   2.916   0.972  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  N   LIG    1       -1.161  -1.629  -0.946  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -0.268  -2.063  -1.194  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -1.844  -2.507   0.330  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -2.889  -1.712   0.941  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -0.745  -3.033   1.109  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -2.635  -3.863  -0.561  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -3.376  -4.764   0.424  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -1.631  -4.672  -1.375  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   3  24
ATOM     24  O   LIG    1        2.177   1.565  -0.533  0.00  0.00    -0.422 OA
BRANCH  24  25
ATOM     25  C   LIG    1        3.046   0.550  -0.853  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1        3.408   0.298  -2.178  0.00  0.00    +0.083 A 
ATOM     27 CL   LIG    1        2.760   1.221  -3.483  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1        4.314  -0.723  -2.462  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        4.863  -1.482  -1.424  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        4.522  -1.226  -0.086  0.00  0.00    -0.041 A 
ATOM     31  C   LIG    1        3.612  -0.194   0.188  0.00  0.00    +0.051 A 
BRANCH  30  32
ATOM     32  C   LIG    1        5.105  -2.038   1.057  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1        6.630  -1.913   1.119  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1        4.681  -3.506   0.973  0.00  0.00    +0.012 C 
ENDBRANCH  30  32
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7