REMARK  Name = BDB048626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.120  -0.140   0.250  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.703  -1.149   1.028  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        2.103  -1.227   1.151  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        2.981  -2.103   1.844  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        4.269  -1.688   1.600  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        4.209  -0.595   0.772  0.00  0.00    -0.336 N 
ATOM      7  C   LIG    1        2.893  -0.286   0.486  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        2.327   0.729  -0.300  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        0.930   0.784  -0.406  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  10
ATOM     10  O   LIG    1       -1.248  -0.178   0.217  0.00  0.00    -0.487 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -1.910   0.836  -0.535  0.00  0.00    +0.273 C 
BRANCH  11  14
ATOM     12  C   LIG    1       -3.635   0.986   2.180  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1       -4.132   0.682   0.811  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1       -3.377   0.611  -0.347  0.00  0.00    +0.050 A 
ATOM     15  S   LIG    1       -4.386   0.211  -1.673  0.00  0.00    -0.065 S 
ATOM     16  C   LIG    1       -5.754   0.159  -0.625  0.00  0.00    +0.182 A 
ATOM     17  N   LIG    1       -5.485   0.433   0.641  0.00  0.00    -0.240 NA
BRANCH  16  18
ATOM     18  C   LIG    1       -7.103  -0.174  -1.200  0.00  0.00    +0.441 C 
ATOM     19  F   LIG    1       -8.092  -0.184  -0.266  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1       -7.487   0.719  -2.155  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1       -7.123  -1.401  -1.792  0.00  0.00    -0.164 F 
ENDBRANCH  16  18
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  22
ATOM     22  C   LIG    1        5.371   0.162   0.329  0.00  0.00    +0.242 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.792  -0.178  -1.075  0.00  0.00    +0.325 C 
ATOM     24  O   LIG    1        5.409  -1.090  -1.787  0.00  0.00    -0.249 OA
BRANCH  23  25
ATOM     25  O   LIG    1        6.741   0.670  -1.532  0.00  0.00    -0.479 OA
ATOM     26  H   LIG    1        6.939   0.337  -2.434  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 7