REMARK  Name = BDB032829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.017   1.961   0.212  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -0.855   1.221  -0.599  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.043   0.789  -0.039  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.124   0.011  -0.653  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -4.064  -0.224   0.340  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.740   0.476   1.578  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.156  -0.348  -1.814  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.398   1.057   1.282  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -1.547   1.779   2.098  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.334   2.225   1.558  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.388  -0.756   0.040  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.440   0.354  -0.129  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.181   1.551  -0.221  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.747  -0.077  -0.162  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.432   0.663  -0.251  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.222  -1.223   0.424  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -9.409  -1.344   0.713  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.213  -2.320   0.676  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.872  -1.742   1.100  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.340   2.437  -0.335  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.281   1.373  -0.167  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        4.331   0.594  -0.346  0.00  0.00    -0.244 N 
ATOM     23  H   LIG    1        3.847  -0.210   0.025  0.00  0.00    +0.159 HD
ATOM     24  C   LIG    1        3.545   1.692  -0.551  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        3.862   2.785  -0.992  0.00  0.00    -0.226 OA
BRANCH  22  29
ATOM     26  C   LIG    1        7.838  -0.328  -0.767  0.00  0.00    +0.052 A 
ATOM     27  N   LIG    1        8.063   0.905  -1.223  0.00  0.00    -0.214 NA
ATOM     28  S   LIG    1        6.635   1.749  -1.216  0.00  0.00    +0.027 S 
ATOM     29  C   LIG    1        5.681   0.487  -0.594  0.00  0.00    +0.094 A 
ATOM     30  C   LIG    1        6.484  -0.615  -0.393  0.00  0.00    +0.056 A 
BRANCH  26  32
ATOM     31  C   LIG    1        9.185  -2.065  -1.972  0.00  0.00    +0.010 C 
ATOM     32  C   LIG    1        8.987  -1.283  -0.682  0.00  0.00    +0.053 C 
ENDBRANCH  26  32
ENDBRANCH  22  29
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6