REMARK  Name = BDB032563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.223  -0.042  -1.321  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1        0.782   0.408  -2.531  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1       -0.280  -0.372  -2.960  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1       -0.479  -1.271  -1.994  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1        0.449  -1.116  -0.947  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        3.303   1.526   1.389  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        2.299   0.831   0.711  0.00  0.00    +0.061 A 
ATOM      8  C   LIG    1        2.315   0.693  -0.690  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1        3.380   1.261  -1.418  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1        4.385   1.956  -0.732  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        4.346   2.089   0.661  0.00  0.00    +0.049 A 
BRANCH   6  13
ATOM     12  C   LIG    1        4.152   2.258   3.485  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        3.145   1.579   2.746  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
BRANCH   9  14
ATOM     14  O   LIG    1        3.382   1.063  -2.774  0.00  0.00    -0.494 OA
ATOM     15  C   LIG    1        4.376   1.722  -3.546  0.00  0.00    +0.277 C 
ENDBRANCH   9  14
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  N   LIG    1       -1.506  -2.193  -2.111  0.00  0.00    -0.197 N 
ATOM     17  H   LIG    1       -2.126  -2.074  -2.910  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.246  -2.914  -0.791  0.00  0.00    +0.081 S 
ATOM     19  O   LIG    1       -1.216  -3.606  -0.044  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -3.388  -3.654  -1.292  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -2.877  -1.515   0.114  0.00  0.00    +0.191 A 
ATOM     22  C   LIG    1       -3.830  -0.702  -0.525  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -4.346   0.423   0.122  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -3.943   0.718   1.418  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -3.012  -0.098   2.065  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -2.464  -1.219   1.424  0.00  0.00    +0.150 A 
BRANCH  22  27
ATOM     27  O   LIG    1       -4.191  -0.944  -1.826  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -5.575  -1.291  -1.932  0.00  0.00    +0.277 C 
ENDBRANCH  22  27
BRANCH  26  29
ATOM     29  O   LIG    1       -1.536  -2.029   2.009  0.00  0.00    -0.493 OA
ATOM     30  C   LIG    1       -1.122  -1.753   3.340  0.00  0.00    +0.277 C 
ENDBRANCH  26  29
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 8