REMARK  Name = BDB015596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.172  -1.883  -0.020  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.056  -0.873   0.021  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.557   0.377   0.092  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.797   0.616   0.170  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        1.600  -0.494   0.106  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        1.158  -1.752   0.053  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.565   1.466   0.134  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.328   2.639  -0.487  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.246   3.681  -0.481  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.902   4.911  -1.177  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.483   3.583   0.152  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.328   4.472   0.197  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.766   2.283   0.811  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.856   1.301   0.788  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        3.015  -0.457   0.232  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        3.314  -1.436   0.177  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.831   0.427  -0.953  0.00  0.00    +0.045 S 
ATOM     18  O   LIG    1        3.222   1.731  -1.100  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        4.017  -0.455  -2.082  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        5.413   0.655  -0.167  0.00  0.00    +0.197 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.315   1.503   1.089  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.672   1.655   1.721  0.00  0.00    +0.392 C 
ATOM     23  F   LIG    1        6.598   2.407   2.839  0.00  0.00    -0.171 F 
ATOM     24  F   LIG    1        7.539   2.248   0.876  0.00  0.00    -0.171 F 
ATOM     25  F   LIG    1        7.180   0.452   2.064  0.00  0.00    -0.171 F 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  26
ATOM     26  O   LIG    1       -0.630  -3.194  -0.044  0.00  0.00    -0.420 OA
BRANCH  26  29
ATOM     27  C   LIG    1       -2.538  -4.194   1.818  0.00  0.00    +0.047 C 
ATOM     28  C   LIG    1       -2.881  -3.890   0.389  0.00  0.00    -0.005 A 
ATOM     29  C   LIG    1       -1.918  -3.373  -0.491  0.00  0.00    +0.170 A 
ATOM     30  C   LIG    1       -2.250  -3.113  -1.823  0.00  0.00    +0.166 A 
ATOM     31  F   LIG    1       -1.318  -2.664  -2.678  0.00  0.00    -0.202 F 
ATOM     32  C   LIG    1       -3.543  -3.322  -2.288  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.515  -3.809  -1.416  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1       -4.186  -4.093  -0.086  0.00  0.00    +0.007 A 
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 8