REMARK  Name = BDB029922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.634  -1.163   1.200  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -1.635  -2.053   0.694  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -2.704  -0.290   1.109  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -2.586   0.897   1.409  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -4.002  -0.829   0.626  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -4.159  -2.150   0.211  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -3.117  -2.997   0.230  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -5.400  -2.606  -0.233  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -5.596  -4.240  -0.743  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -6.501  -1.747  -0.269  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -6.368  -0.415   0.141  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -5.112   0.032   0.587  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -7.489   0.513   0.121  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -7.410   1.788   0.636  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -8.593   2.325   0.442  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -9.435   1.451  -0.179  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1      -10.803   1.719  -0.541  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -8.749   0.287  -0.393  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.256  -0.511   1.361  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.369   0.503   1.530  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        0.771  -0.746   0.013  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        0.426  -2.033  -0.557  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        0.719   0.471  -0.764  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.355  -0.862   0.838  0.00  0.00    +0.190 C 
BRANCH  24  27
ATOM     25  C   LIG    1        5.094   0.242   0.035  0.00  0.00    +0.075 C 
ATOM     26  C   LIG    1        4.883  -1.234   0.442  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1        3.461  -1.150  -0.171  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1        3.991   0.032  -1.027  0.00  0.00    +0.027 C 
BRANCH  25  32
ATOM     29  C   LIG    1        8.963   0.592  -1.777  0.00  0.00    +0.133 C 
ATOM     30  N   LIG    1        8.715   0.921  -0.379  0.00  0.00    -0.292 N 
ATOM     31  C   LIG    1        7.527   0.636   0.283  0.00  0.00    +0.302 C 
ATOM     32  N   LIG    1        6.422   0.543  -0.528  0.00  0.00    -0.296 N 
ATOM     33  H   LIG    1        6.467   1.153  -1.332  0.00  0.00    +0.151 HD
ATOM     34  O   LIG    1        7.453   0.483   1.499  0.00  0.00    -0.253 OA
ATOM     35  C   LIG    1        9.902   1.075   0.444  0.00  0.00    +0.133 C 
ENDBRANCH  25  32
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7