REMARK  Name = BDB046563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.887  -1.431   1.728  0.00  0.00    +0.303 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.241  -1.884   1.281  0.00  0.00    +0.149 A 
ATOM      3  N   LIG    1       -2.816  -1.542   0.070  0.00  0.00    -0.320 N 
ATOM      4  C   LIG    1       -4.080  -2.096   0.027  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1       -4.203  -2.760   1.243  0.00  0.00    +0.089 A 
ATOM      6  C   LIG    1       -5.388  -3.449   1.540  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -6.424  -3.450   0.599  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -6.282  -2.777  -0.615  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -5.106  -2.084  -0.928  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -3.071  -2.617   2.001  0.00  0.00    -0.229 NA
BRANCH   3  11
ATOM     11  C   LIG    1       -2.194  -0.776  -1.003  0.00  0.00    +0.158 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -1.995   0.679  -0.654  0.00  0.00    -0.028 A 
ATOM     13  C   LIG    1       -0.729   1.268  -0.798  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -0.525   2.609  -0.472  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -1.589   3.385  -0.019  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -2.857   2.820   0.108  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.061   1.476  -0.211  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
ENDBRANCH   3  11
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1        0.066  -1.970   0.812  0.00  0.00    -0.484 OA
BRANCH  18  22
ATOM     19  C   LIG    1        3.861  -0.266   0.456  0.00  0.00    -0.046 A 
ATOM     20  C   LIG    1        3.054   0.106   1.538  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        1.786  -0.457   1.710  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        1.303  -1.390   0.794  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        2.117  -1.786  -0.269  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        3.386  -1.230  -0.441  0.00  0.00    +0.007 A 
BRANCH  19  25
ATOM     25  C   LIG    1        5.215   0.373   0.248  0.00  0.00    +0.059 C 
BRANCH  25  29
ATOM     26  O   LIG    1        7.631   4.343  -0.900  0.00  0.00    -0.263 OA
ATOM     27  C   LIG    1        6.761   3.498  -0.786  0.00  0.00    +0.279 C 
ATOM     28  S   LIG    1        6.928   1.849  -1.322  0.00  0.00    -0.054 S 
ATOM     29  C   LIG    1        5.206   1.413  -0.874  0.00  0.00    +0.146 C 
ATOM     30  C   LIG    1        4.593   2.728  -0.426  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1        3.400   2.922  -0.232  0.00  0.00    -0.274 OA
ATOM     32  N   LIG    1        5.529   3.704  -0.269  0.00  0.00    -0.246 N 
ATOM     33  H   LIG    1        5.247   4.641  -0.026  0.00  0.00    +0.158 HD
ENDBRANCH  25  29
ENDBRANCH  19  25
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 7