REMARK  Name = BDB059987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.022  -2.376  -1.273  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -2.056  -3.354  -2.261  0.00  0.00    +0.099 A 
ATOM      3 CL   LIG    1       -3.508  -4.103  -2.799  0.00  0.00    -0.078 Cl
ATOM      4  C   LIG    1       -0.844  -3.720  -2.796  0.00  0.00    +0.137 A 
ATOM      5  N   LIG    1        0.332  -3.188  -2.412  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1        0.284  -2.258  -1.453  0.00  0.00    +0.217 A 
ATOM      7  N   LIG    1       -0.851  -1.827  -0.884  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -3.246  -1.933  -0.706  0.00  0.00    -0.298 N 
ATOM      9  H   LIG    1       -3.876  -2.720  -0.583  0.00  0.00    +0.154 HD
BRANCH   8  17
ATOM     10  O   LIG    1       -3.074   4.210   3.159  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.232   3.145   2.586  0.00  0.00    +0.222 C 
ATOM     12  N   LIG    1       -4.294   2.270   2.778  0.00  0.00    -0.285 N 
ATOM     13  H   LIG    1       -5.044   2.455   3.427  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1       -4.173   1.150   1.972  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -3.014   1.243   1.210  0.00  0.00    -0.016 A 
ATOM     16  C   LIG    1       -2.670   0.242   0.318  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1       -3.497  -0.886   0.207  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1       -4.687  -0.936   0.979  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1       -5.030   0.080   1.878  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1       -2.309   2.527   1.529  0.00  0.00    +0.133 C 
ENDBRANCH   8  17
ENDBRANCH   1   8
BRANCH   6  21
ATOM     21  N   LIG    1        1.507  -1.741  -1.060  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1        2.168  -1.964  -1.796  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.467  -0.351  -0.663  0.00  0.00    +0.139 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.879   0.127  -0.410  0.00  0.00    -0.028 A 
ATOM     25  C   LIG    1        3.560   0.894  -1.365  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1        4.871   1.311  -1.111  0.00  0.00    +0.122 A 
ATOM     27  C   LIG    1        5.527   0.961   0.070  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        4.855   0.190   1.017  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        3.543  -0.226   0.777  0.00  0.00    +0.005 A 
BRANCH  26  30
ATOM     30  S   LIG    1        5.732   2.250  -2.336  0.00  0.00    +0.147 S 
ATOM     31  F   LIG    1        7.286   2.057  -2.055  0.00  0.00    -0.056 F 
ATOM     32  O   LIG    1        5.492   1.626  -3.621  0.00  0.00    -0.138 OA
ATOM     33  O   LIG    1        5.454   3.649  -2.086  0.00  0.00    -0.138 OA
ENDBRANCH  26  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6