REMARK  Name = BDB056146
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.647  -1.261   1.951  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.637  -2.005   1.327  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -0.922  -2.970   2.046  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.238  -3.232   3.376  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.244  -2.501   4.000  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -2.944  -1.518   3.292  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.270   0.613   1.573  0.00  0.00    +0.266 C 
ATOM      8  N   LIG    1       -3.318  -0.304   1.163  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1       -2.995  -0.212   0.209  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -4.620   0.807   2.730  0.00  0.00    -0.268 OA
BRANCH   7  16
ATOM     11  C   LIG    1       -5.841   4.335  -1.468  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.497   3.026  -0.866  0.00  0.00    +0.061 A 
ATOM     13  N   LIG    1       -5.668   1.896  -1.561  0.00  0.00    -0.176 NA
ATOM     14  N   LIG    1       -5.312   0.923  -0.701  0.00  0.00    -0.262 N 
ATOM     15  C   LIG    1       -5.540  -0.453  -1.080  0.00  0.00    +0.173 C 
ATOM     16  C   LIG    1       -4.801   1.396   0.481  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -4.978   2.765   0.420  0.00  0.00    +0.057 A 
ENDBRANCH   7  16
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  O   LIG    1        0.059  -3.745   1.470  0.00  0.00    -0.456 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.031  -3.096   0.739  0.00  0.00    +0.130 A 
ATOM     20  C   LIG    1        1.685  -1.952   1.214  0.00  0.00    +0.063 A 
ATOM     21  C   LIG    1        2.681  -1.383   0.404  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1        3.039  -1.932  -0.829  0.00  0.00    +0.081 A 
ATOM     23  N   LIG    1        4.037  -1.255  -1.510  0.00  0.00    -0.225 NA
ATOM     24  C   LIG    1        4.428  -0.220  -0.806  0.00  0.00    +0.165 A 
ATOM     25  C   LIG    1        2.382  -3.099  -1.270  0.00  0.00    +0.032 A 
ATOM     26  S   LIG    1        3.647   0.012   0.685  0.00  0.00    -0.052 S 
ATOM     27  C   LIG    1        1.386  -3.676  -0.476  0.00  0.00    +0.048 A 
BRANCH  24  28
ATOM     28  N   LIG    1        5.415   0.607  -1.276  0.00  0.00    -0.264 N 
ATOM     29  H   LIG    1        5.772   0.321  -2.174  0.00  0.00    +0.157 HD
ATOM     30  C   LIG    1        5.926   1.723  -0.665  0.00  0.00    +0.222 C 
ATOM     31  O   LIG    1        5.597   2.197   0.413  0.00  0.00    -0.275 OA
BRANCH  30  32
ATOM     32  C   LIG    1        7.009   2.428  -1.423  0.00  0.00    +0.075 C 
ATOM     33  C   LIG    1        8.042   1.694  -2.247  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1        7.009   2.545  -2.930  0.00  0.00    +0.013 C 
ENDBRANCH  30  32
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 6