REMARK  Name = BDB030164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.691   1.173  -0.667  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.867   1.753   0.158  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -1.610   0.224  -1.077  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -1.285  -0.700  -1.822  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.006   0.348  -0.581  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -3.405   1.354   0.297  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -2.519   2.263   0.736  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -4.728   1.425   0.732  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -5.223   2.672   1.814  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -5.670   0.491   0.298  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -5.294  -0.531  -0.582  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.958  -0.590  -1.016  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.243  -1.525  -1.060  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -5.925  -2.458  -2.021  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -7.009  -3.180  -2.192  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -8.017  -2.753  -1.381  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -9.339  -3.320  -1.311  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -7.549  -1.696  -0.649  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.783   0.811  -0.897  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.841  -0.057  -1.456  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.666   0.602   0.550  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1        1.062   1.476   1.536  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        1.734  -0.829   0.747  0.00  0.00    -0.157 OA
BRANCH  21  25
ATOM     24  C   LIG    1        3.163   2.606  -0.591  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1        3.317   1.240   0.092  0.00  0.00    +0.149 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.250   1.315   1.346  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1        5.614   1.982   1.063  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1        6.504   1.128   0.158  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1        6.738  -0.262   0.765  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        5.417  -0.953   1.125  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1        4.540  -0.055   1.998  0.00  0.00    +0.007 C 
BRANCH  29  32
ATOM     32  N   LIG    1        7.507  -1.101  -0.151  0.00  0.00    -0.327 NA
ATOM     33  H   LIG    1        8.371  -0.628  -0.412  0.00  0.00    +0.118 HD
ATOM     34  H   LIG    1        6.989  -1.246  -1.016  0.00  0.00    +0.118 HD
ENDBRANCH  29  32
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7