REMARK  Name = BDB033594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.618  -0.390  -0.846  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.604  -0.248  -0.137  0.00  0.00    +0.109 A 
ATOM      3  C   LIG    1        0.896   1.097  -0.254  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.022   1.713   0.284  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1        2.899   0.885   1.006  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        2.617  -0.485   1.147  0.00  0.00    +0.171 A 
ATOM      7  F   LIG    1        3.461  -1.225   1.882  0.00  0.00    -0.201 F 
ATOM      8  O   LIG    1       -0.084   1.711  -0.967  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1        1.481  -1.089   0.575  0.00  0.00    +0.173 A 
ATOM     10  N   LIG    1       -1.042   0.781  -1.329  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -1.294  -1.593  -0.992  0.00  0.00    -0.196 N 
ATOM     12  H   LIG    1       -0.972  -2.408  -0.470  0.00  0.00    +0.175 HD
BRANCH  11  13
ATOM     13  S   LIG    1       -2.848  -1.737  -1.592  0.00  0.00    +0.082 S 
ATOM     14  O   LIG    1       -3.267  -3.096  -1.309  0.00  0.00    -0.150 OA
ATOM     15  O   LIG    1       -2.809  -1.262  -2.960  0.00  0.00    -0.150 OA
BRANCH  13  17
ATOM     16  C   LIG    1       -4.750   0.220  -1.140  0.00  0.00    +0.153 A 
ATOM     17  C   LIG    1       -3.834  -0.679  -0.597  0.00  0.00    +0.211 A 
ATOM     18  C   LIG    1       -3.717  -0.730   0.784  0.00  0.00    +0.246 A 
ATOM     19  N   LIG    1       -4.425   0.073   1.621  0.00  0.00    -0.219 NA
ATOM     20  C   LIG    1       -5.306   0.927   1.063  0.00  0.00    +0.118 A 
ATOM     21  C   LIG    1       -5.511   1.029  -0.298  0.00  0.00    +0.067 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -4.464   1.419  -3.092  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -5.026   0.256  -2.478  0.00  0.00    -0.493 OA
ENDBRANCH  16  23
BRANCH  18  24
ATOM     24  O   LIG    1       -2.831  -1.621   1.353  0.00  0.00    -0.478 OA
ATOM     25  C   LIG    1       -2.915  -1.696   2.773  0.00  0.00    +0.279 C 
ENDBRANCH  18  24
ENDBRANCH  13  17
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   5  26
ATOM     26  C   LIG    1        4.167   1.452   1.597  0.00  0.00    +0.181 C 
BRANCH  26  27
ATOM     27  N   LIG    1        5.226   1.518   0.600  0.00  0.00    -0.267 N 
ATOM     28  N   LIG    1        5.893   0.400   0.245  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        6.770   0.830  -0.665  0.00  0.00    +0.134 A 
ATOM     30  C   LIG    1        6.673   2.215  -0.890  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1        5.667   2.636  -0.052  0.00  0.00    +0.108 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
BRANCH   9  32
ATOM     32  O   LIG    1        1.136  -2.409   0.678  0.00  0.00    -0.458 OA
BRANCH  32  33
ATOM     33  C   LIG    1        2.187  -3.316   0.991  0.00  0.00    +0.444 C 
ATOM     34  F   LIG    1        1.698  -4.559   0.730  0.00  0.00    -0.204 F 
ENDBRANCH  32  33
ENDBRANCH   9  32
TORSDOF 9