REMARK  Name = BDB051429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.819   1.226  -0.273  0.00  0.00    +0.136 A 
ATOM      2  S   LIG    1        0.327   1.750  -1.428  0.00  0.00    -0.061 S 
ATOM      3  C   LIG    1        1.579   0.990  -0.523  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.021   0.396   0.610  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1        1.871  -0.285   1.502  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        3.248  -0.357   1.243  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.787   0.241   0.107  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        2.956   0.923  -0.791  0.00  0.00    +0.062 A 
ATOM      9  N   LIG    1       -0.349   0.544   0.746  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   1  10
ATOM     10  S   LIG    1       -2.525   1.600  -0.419  0.00  0.00    -0.084 S 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.246   0.336   0.689  0.00  0.00    +0.161 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.958  -1.073   0.191  0.00  0.00    +0.318 C 
ATOM     13  O   LIG    1       -2.531  -1.424  -0.897  0.00  0.00    -0.250 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -3.239  -2.014   1.122  0.00  0.00    -0.480 OA
ATOM     15  H   LIG    1       -2.983  -2.853   0.682  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH  11  16
ATOM     16  C   LIG    1       -4.748   0.567   0.945  0.00  0.00    +0.025 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -5.766  -0.402  -1.209  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1       -5.682   0.777  -0.255  0.00  0.00    -0.002 C 
ENDBRANCH  16  18
ENDBRANCH  11  16
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   7  19
ATOM     19  O   LIG    1        5.109   0.238  -0.249  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        6.017  -0.444   0.614  0.00  0.00    +0.225 C 
ATOM     21  C   LIG    1        7.409  -0.320   0.021  0.00  0.00    +0.048 C 
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 8