REMARK  Name = BDB033939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.029  -2.131  -0.635  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        2.035  -4.387  -0.385  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        1.054  -3.574  -0.895  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1        0.221  -3.975  -1.322  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        2.994  -3.950   0.241  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        2.901  -6.737  -0.109  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        1.812  -5.854  -0.691  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -0.411  -1.663  -0.942  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -0.751  -0.425  -0.449  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1        0.010   0.209  -0.208  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -1.195  -2.368  -1.581  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -2.026   0.221  -0.779  0.00  0.00    +0.090 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.414   1.228   0.339  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -2.561   0.536   1.706  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1       -2.795   1.543   2.837  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1       -3.509   2.816   2.387  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -4.450   2.545   1.225  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1       -3.711   1.996   0.001  0.00  0.00    +0.005 C 
ENDBRANCH  12  13
BRANCH  12  19
ATOM     19  C   LIG    1       -1.928   0.862  -2.191  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -0.922   1.929  -2.269  0.00  0.00    -0.328 NA
ATOM     21  H   LIG    1       -0.796   2.195  -3.245  0.00  0.00    +0.118 HD
ATOM     22  H   LIG    1       -0.017   1.556  -1.964  0.00  0.00    +0.118 HD
ENDBRANCH  19  20
ENDBRANCH  12  19
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  23
ATOM     23  C   LIG    1        2.056  -1.391  -1.503  0.00  0.00    +0.094 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.456  -0.082  -0.888  0.00  0.00    +0.082 A 
ATOM     25  S   LIG    1        4.041   0.156  -0.279  0.00  0.00    -0.072 S 
ATOM     26  C   LIG    1        3.624   1.759   0.193  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        2.293   2.000  -0.151  0.00  0.00    +0.079 A 
ATOM     28  C   LIG    1        1.729   3.258   0.144  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        2.509   4.236   0.772  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        3.833   3.969   1.104  0.00  0.00    +0.042 A 
ATOM     31 CL   LIG    1        4.774   5.187   1.876  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        4.418   2.731   0.824  0.00  0.00    +0.037 A 
ATOM     33  N   LIG    1        1.638   0.943  -0.763  0.00  0.00    -0.244 NA
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 9