REMARK  Name = BDB064927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.029  -1.684  -1.418  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1        0.554  -0.835  -0.455  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.707   0.534  -0.688  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        0.284   1.063  -1.912  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.305   0.241  -2.872  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.466  -1.121  -2.625  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.280   1.430   0.238  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        1.377   2.386  -0.079  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.615   1.171   1.555  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        1.372   0.148   2.184  0.00  0.00    -0.270 OA
BRANCH   9  11
ATOM     11  C   LIG    1        2.284   2.299   2.264  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        2.018   2.485   3.627  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        2.626   3.531   4.322  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        3.507   4.387   3.663  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        3.791   4.195   2.311  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.185   3.150   1.609  0.00  0.00    +0.013 A 
ENDBRANCH   9  11
ENDBRANCH   3   7
BRANCH   1  18
ATOM     17  C   LIG    1       -0.184  -4.111  -2.300  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -0.196  -3.163  -1.097  0.00  0.00    +0.081 C 
BRANCH  18  19
ATOM     19  S   LIG    1       -1.648  -3.482  -0.022  0.00  0.00    -0.078 S 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.915  -2.726  -0.915  0.00  0.00    +0.192 A 
ATOM     21  N   LIG    1       -3.583  -1.617  -0.486  0.00  0.00    -0.312 N 
ATOM     22  C   LIG    1       -3.394  -0.878   0.732  0.00  0.00    +0.152 C 
ATOM     23  C   LIG    1       -4.473  -1.321  -1.476  0.00  0.00    +0.225 A 
ATOM     24  N   LIG    1       -4.360  -2.197  -2.449  0.00  0.00    -0.137 NA
ATOM     25  N   LIG    1       -3.374  -3.092  -2.090  0.00  0.00    -0.123 NA
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5