REMARK  Name = BDB049722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.243   0.938  -0.493  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.213   1.329  -0.231  0.00  0.00    +0.002 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -1.176   0.141  -0.261  0.00  0.00    +0.011 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -2.627   0.598  -0.115  0.00  0.00    +0.120 C 
BRANCH   4   5
ATOM      5  C   LIG    1       -3.589  -0.567  -0.133  0.00  0.00    +0.307 C 
ATOM      6  O   LIG    1       -3.275  -1.745  -0.227  0.00  0.00    -0.251 OA
BRANCH   5   8
ATOM      7  C   LIG    1       -5.859  -1.128  -0.028  0.00  0.00    +0.280 C 
ATOM      8  O   LIG    1       -4.866  -0.102  -0.023  0.00  0.00    -0.468 OA
ENDBRANCH   5   8
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1   9
ATOM      9  C   LIG    1        1.838   0.043   0.597  0.00  0.00    +0.133 C 
BRANCH   9  10
ATOM     10  N   LIG    1        3.256  -0.179   0.401  0.00  0.00    -0.279 N 
ATOM     11  C   LIG    1        4.231   0.698   0.833  0.00  0.00    +0.258 A 
ATOM     12  O   LIG    1        4.084   1.711   1.499  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        5.555   0.246   0.355  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1        5.449  -0.852  -0.398  0.00  0.00    +0.069 A 
ATOM     15  S   LIG    1        3.833  -1.432  -0.594  0.00  0.00    -0.017 S 
ENDBRANCH   9  10
ENDBRANCH   1   9
TORSDOF 7