REMARK  Name = BDB054679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.869   2.067  -0.685  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1       -0.294   2.774  -0.195  0.00  0.00    +0.187 A 
ATOM      3  O   LIG    1       -0.504   4.040  -0.289  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1       -1.240   1.943   0.431  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -1.075   0.561   0.567  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        0.073  -0.065   0.071  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        1.107   0.631  -0.578  0.00  0.00    +0.187 A 
ATOM      8  O   LIG    1        2.141  -0.006  -1.013  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -2.087  -0.218   1.216  0.00  0.00    -0.001 C 
ATOM     10  C   LIG    1       -2.934  -0.876   1.758  0.00  0.00    -0.001 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.939  -1.663   2.398  0.00  0.00    -0.010 A 
ATOM     12  C   LIG    1       -4.763  -1.171   3.385  0.00  0.00    +0.053 A 
ATOM     13  S   LIG    1       -5.862  -2.356   3.954  0.00  0.00    -0.104 S 
ATOM     14  C   LIG    1       -5.236  -3.531   2.876  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -4.213  -3.029   2.102  0.00  0.00    +0.016 A 
ENDBRANCH  10  11
ENDBRANCH   5   9
BRANCH   1  16
ATOM     16  C   LIG    1        1.897   2.841  -1.345  0.00  0.00    +0.058 C 
BRANCH  16  18
ATOM     17  C   LIG    1        4.297   3.361  -2.669  0.00  0.00    -0.048 C 
ATOM     18  C   LIG    1        3.150   3.347  -2.075  0.00  0.00    -0.030 C 
ATOM     19  C   LIG    1        4.983   4.623  -3.223  0.00  0.00    +0.026 C 
BRANCH  17  20
ATOM     20  C   LIG    1        4.914   2.094  -2.774  0.00  0.00    +0.026 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.144   0.584  -2.638  0.00  0.00    +0.030 C 
BRANCH  21  24
ATOM     22  C   LIG    1        5.569  -2.742  -0.807  0.00  0.00    +0.026 C 
ATOM     23  C   LIG    1        4.689  -2.122  -1.946  0.00  0.00    -0.048 C 
ATOM     24  C   LIG    1        4.972  -0.904  -2.298  0.00  0.00    -0.034 C 
ATOM     25  C   LIG    1        4.400  -3.135  -3.106  0.00  0.00    +0.026 C 
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 7