REMARK  Name = BDB033600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.477  -1.529   1.181  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.855  -1.059   1.064  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.397  -1.842   0.064  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.710  -1.742  -0.394  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.520  -0.774   0.226  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        2.991   0.047   1.242  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.450  -2.701  -0.396  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.653  -0.065   1.652  0.00  0.00    +0.138 A 
ATOM      9  N   LIG    1       -0.732  -2.496   0.296  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.397  -1.020   2.087  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.130  -0.210   2.646  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.052  -1.227   1.948  0.00  0.00    +0.082 S 
ATOM     13  O   LIG    1       -3.317  -2.643   2.078  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.648  -0.286   2.878  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -2.942   0.595  -0.099  0.00  0.00    +0.153 A 
ATOM     16  C   LIG    1       -3.435  -0.638   0.338  0.00  0.00    +0.211 A 
ATOM     17  C   LIG    1       -4.244  -1.356  -0.524  0.00  0.00    +0.246 A 
ATOM     18  N   LIG    1       -4.541  -0.925  -1.780  0.00  0.00    -0.219 NA
ATOM     19  C   LIG    1       -4.011   0.245  -2.189  0.00  0.00    +0.118 A 
ATOM     20  C   LIG    1       -3.211   1.037  -1.392  0.00  0.00    +0.067 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -2.822   2.518   1.176  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.129   1.360   0.698  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -4.847  -2.511  -0.096  0.00  0.00    -0.478 OA
ATOM     24  C   LIG    1       -5.465  -3.269  -1.129  0.00  0.00    +0.279 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  25
ATOM     25  C   LIG    1        4.956  -0.590  -0.212  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.108   0.605  -1.031  0.00  0.00    -0.267 N 
ATOM     27  N   LIG    1        5.314   1.806  -0.446  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        5.426   2.644  -1.480  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1        5.289   1.991  -2.718  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        5.085   0.670  -2.396  0.00  0.00    +0.108 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
BRANCH   8  31
ATOM     31  O   LIG    1        1.112   0.741   2.620  0.00  0.00    -0.461 OA
BRANCH  31  32
ATOM     32  C   LIG    1        1.273   2.125   2.317  0.00  0.00    +0.444 C 
ATOM     33  F   LIG    1        0.299   2.780   3.003  0.00  0.00    -0.204 F 
ENDBRANCH  31  32
ENDBRANCH   8  31
TORSDOF 9