REMARK  Name = BDB019184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.910  -0.077  -1.270  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.766  -1.570  -0.961  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.645  -1.828  -1.457  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.383  -0.560  -1.016  0.00  0.00    +0.186 C 
ATOM      5  O   LIG    1       -0.407   0.509  -1.113  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.935  -0.648   0.430  0.00  0.00    +0.186 C 
ATOM      7  C   LIG    1       -2.971   0.413   0.755  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -4.165   0.170   1.417  0.00  0.00    -0.031 A 
ATOM      9  C   LIG    1       -4.924   1.361   1.617  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -4.257   2.455   1.127  0.00  0.00    +0.079 A 
ATOM     11 CL   LIG    1       -4.797   4.084   1.165  0.00  0.00    -0.076 Cl
ATOM     12  C   LIG    1       -4.530  -1.220   1.827  0.00  0.00    +0.064 C 
ATOM     13  C   LIG    1       -3.268  -2.091   1.835  0.00  0.00    +0.165 C 
ATOM     14  S   LIG    1       -2.754   2.081   0.448  0.00  0.00    -0.079 S 
ATOM     15  O   LIG    1       -2.565  -1.945   0.590  0.00  0.00    -0.368 OA
ENDBRANCH   4   6
BRANCH   1  20
ATOM     16  C   LIG    1        5.161   1.620   0.336  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1        3.779   1.400   0.414  0.00  0.00    +0.058 A 
ATOM     18  C   LIG    1        2.739   1.703   1.336  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        1.562   1.205   0.818  0.00  0.00    +0.091 A 
ATOM     20  N   LIG    1        1.849   0.603  -0.387  0.00  0.00    -0.303 N 
ATOM     21  C   LIG    1        3.193   0.727  -0.648  0.00  0.00    +0.148 A 
ATOM     22  N   LIG    1        3.822   0.270  -1.744  0.00  0.00    -0.218 NA
ATOM     23  C   LIG    1        5.139   0.534  -1.704  0.00  0.00    +0.225 A 
ATOM     24  N   LIG    1        5.834   1.168  -0.740  0.00  0.00    -0.220 NA
BRANCH  16  25
ATOM     25  N   LIG    1        5.895   2.264   1.323  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1        6.883   2.067   1.212  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        5.520   2.172   2.256  0.00  0.00    +0.144 HD
ENDBRANCH  16  25
ENDBRANCH   1  20
BRANCH   2  28
ATOM     28  O   LIG    1        1.698  -2.413  -1.630  0.00  0.00    -0.385 OA
ATOM     29  H   LIG    1        1.425  -2.413  -2.571  0.00  0.00    +0.210 HD
ENDBRANCH   2  28
BRANCH   3  30
ATOM     30  O   LIG    1       -0.589  -1.911  -2.897  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1       -1.500  -2.066  -3.211  0.00  0.00    +0.210 HD
ENDBRANCH   3  30
TORSDOF 5