REMARK  Name = BDB059967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.468   1.702  -3.115  0.00  0.00    +0.092 C 
ENDROOT
BRANCH   1   2
ATOM      2  S   LIG    1        2.145   2.408  -3.233  0.00  0.00    -0.087 S 
BRANCH   2  11
ATOM      3  O   LIG    1        5.340   4.084  -0.008  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        4.241   3.563  -0.151  0.00  0.00    +0.260 A 
ATOM      5  C   LIG    1        3.377   3.224   0.994  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1        2.139   2.634   0.715  0.00  0.00    +0.079 A 
ATOM      7  C   LIG    1        1.305   2.293   1.780  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        1.700   2.543   3.098  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        2.936   3.136   3.361  0.00  0.00    +0.001 A 
ATOM     10  N   LIG    1        1.710   2.368  -0.597  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        2.510   2.680  -1.557  0.00  0.00    +0.170 A 
ATOM     12  C   LIG    1        3.781   3.479   2.308  0.00  0.00    +0.015 A 
ATOM     13  N   LIG    1        3.732   3.252  -1.384  0.00  0.00    -0.301 N 
ATOM     14  H   LIG    1        4.294   3.469  -2.193  0.00  0.00    +0.171 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.493   0.230  -2.668  0.00  0.00    +0.095 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -0.856  -0.361  -2.553  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1       -0.784  -1.821  -2.317  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -0.704  -2.269  -0.837  0.00  0.00    +0.122 C 
ATOM     19  N   LIG    1       -1.778  -1.675  -0.023  0.00  0.00    -0.313 N 
ATOM     20  C   LIG    1       -2.582  -0.635  -0.684  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1       -1.647   0.303  -1.483  0.00  0.00    +0.103 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -2.461  -2.494   0.872  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1       -3.797  -2.343   1.012  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1       -4.452  -3.131   1.894  0.00  0.00    +0.113 A 
ATOM     25  C   LIG    1       -3.838  -4.086   2.680  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -2.467  -4.233   2.557  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -1.775  -3.429   1.651  0.00  0.00    +0.043 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5