REMARK  Name = BDB038762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.426  -0.481  -0.479  0.00  0.00    +0.052 A 
ATOM      2  N   LIG    1       -0.756   0.581  -1.043  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1       -1.334   1.298  -1.492  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        0.433   1.069  -0.460  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        1.079   0.351   0.567  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1        2.300   0.812   1.082  0.00  0.00    +0.144 A 
ATOM      7  C   LIG    1        2.868   1.990   0.585  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1        2.235   2.674  -0.444  0.00  0.00    +0.129 A 
ATOM      9  F   LIG    1        2.790   3.792  -0.931  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        0.416  -0.886   1.065  0.00  0.00    +0.194 A 
ATOM     11  O   LIG    1        0.922  -1.639   1.889  0.00  0.00    -0.287 OA
ATOM     12  C   LIG    1        1.034   2.222  -0.977  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -0.922  -1.221   0.520  0.00  0.00    +0.077 A 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -3.896   0.001  -0.924  0.00  0.00    +0.097 A 
ATOM     15  C   LIG    1       -2.759  -0.828  -1.022  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -2.889  -2.067  -1.681  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -4.114  -2.478  -2.214  0.00  0.00    +0.053 A 
ATOM     18  C   LIG    1       -5.231  -1.649  -2.097  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -5.126  -0.411  -1.457  0.00  0.00    +0.029 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -5.343   2.352  -0.110  0.00  0.00    +0.200 C 
ATOM     21  S   LIG    1       -3.745   1.593  -0.138  0.00  0.00    -0.005 S 
ATOM     22  O   LIG    1       -3.370   1.344   1.239  0.00  0.00    -0.170 OA
ATOM     23  O   LIG    1       -2.908   2.384  -1.026  0.00  0.00    -0.170 OA
ENDBRANCH  14  21
BRANCH  17  24
ATOM     24  C   LIG    1       -4.224  -3.743  -2.881  0.00  0.00    +0.099 C 
ATOM     25  N   LIG    1       -4.322  -4.764  -3.422  0.00  0.00    -0.191 NA
ENDBRANCH  17  24
ENDBRANCH   1  15
BRANCH   6  26
ATOM     26  O   LIG    1        2.903   0.161   2.135  0.00  0.00    -0.455 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.200  -0.258   1.944  0.00  0.00    +0.129 A 
ATOM     28  C   LIG    1        4.606  -0.965   0.809  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1        5.934  -1.385   0.692  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        6.840  -1.110   1.716  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1        8.475  -1.628   1.571  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        6.430  -0.426   2.861  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1        5.104  -0.007   2.978  0.00  0.00    +0.048 A 
ENDBRANCH  26  27
ENDBRANCH   6  26
TORSDOF 5