REMARK  Name = BDB064040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.879  -2.369  -3.203  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.670  -1.485  -2.397  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.585  -0.914  -1.372  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.833  -1.371  -1.205  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.930   0.082  -0.680  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.257   0.121  -1.207  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.465  -0.768  -2.204  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.290  -0.881  -2.762  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.816  -0.896  -0.218  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.708  -1.834   0.330  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.677  -1.394   1.251  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.787  -0.053   1.624  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.789   0.230   2.539  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.422  -0.878   2.849  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.900   0.879   1.054  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.877  -2.309   2.084  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.931   0.450   0.138  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.216   0.987  -0.796  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -0.923   1.502   0.032  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.652   0.777  -0.906  0.00  0.00    +0.090 C 
ATOM     21  C   LIG    1       -3.131  -0.334   0.058  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1       -4.645  -0.506  -0.163  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1       -5.362   0.822   0.136  0.00  0.00    +0.085 C 
ATOM     24  N   LIG    1       -4.412   1.885   0.527  0.00  0.00    -0.301 NA
ATOM     25  C   LIG    1       -3.684   1.453   1.740  0.00  0.00    +0.085 C 
ATOM     26  C   LIG    1       -2.942   0.126   1.516  0.00  0.00    +0.021 C 
ATOM     27  C   LIG    1       -3.429   2.082  -0.569  0.00  0.00    +0.107 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3