REMARK  Name = BDB064073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.593  -2.731   0.379  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1       -1.275  -1.413   0.294  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.893  -0.199  -0.249  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.979   0.716  -0.102  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -2.997   0.034   0.564  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -4.222   0.629   0.887  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -4.412   1.964   0.519  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.414   2.673  -0.146  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.195   2.063  -0.462  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -2.545  -1.244   0.797  0.00  0.00    -0.358 N 
ATOM     11  H   LIG    1       -3.089  -1.963   1.253  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.352   0.082  -0.888  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1        1.564  -0.044  -0.343  0.00  0.00    +0.096 C 
ATOM     14  C   LIG    1        2.855   0.261  -1.032  0.00  0.00    +0.266 C 
ATOM     15  O   LIG    1        2.981   0.656  -2.177  0.00  0.00    -0.268 OA
ATOM     16  N   LIG    1        3.825  -0.003  -0.087  0.00  0.00    -0.251 N 
ATOM     17  C   LIG    1        5.239   0.170  -0.345  0.00  0.00    +0.140 C 
ATOM     18  C   LIG    1        3.251  -0.423   1.101  0.00  0.00    +0.144 C 
ATOM     19  S   LIG    1        3.984  -0.845   2.527  0.00  0.00    -0.018 S 
ATOM     20  N   LIG    1        1.877  -0.444   0.925  0.00  0.00    -0.292 N 
ATOM     21  H   LIG    1        1.201  -0.684   1.638  0.00  0.00    +0.154 HD
ENDBRANCH   3  12
TORSDOF 1