REMARK  Name = BDB058509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.012   0.683  -0.166  0.00  0.00    +0.000 A 
ATOM      2  C   LIG    1       -2.893  -0.655   0.160  0.00  0.00    +0.030 A 
ATOM      3  S   LIG    1       -1.285  -1.028   0.638  0.00  0.00    -0.091 S 
ATOM      4  C   LIG    1       -0.744   0.574   0.386  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -1.773   1.386  -0.043  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -5.715   2.434  -1.853  0.00  0.00    +0.195 A 
ATOM      7  O   LIG    1       -6.151   2.512  -0.567  0.00  0.00    -0.470 OA
ATOM      8  C   LIG    1       -5.221   1.886   0.203  0.00  0.00    +0.203 A 
ATOM      9  C   LIG    1       -4.206   1.402  -0.587  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -4.515   1.763  -1.919  0.00  0.00    +0.049 A 
ENDBRANCH   1   9
BRANCH   2  11
ATOM     11  C   LIG    1       -4.018  -1.752   0.119  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -3.835  -3.071   0.481  0.00  0.00    +0.203 A 
ATOM     13  O   LIG    1       -4.988  -3.774   0.338  0.00  0.00    -0.470 OA
ATOM     14  C   LIG    1       -5.919  -2.904  -0.126  0.00  0.00    +0.195 A 
ATOM     15  C   LIG    1       -5.373  -1.650  -0.280  0.00  0.00    +0.050 A 
ENDBRANCH   2  11
BRANCH   4  16
ATOM     16  C   LIG    1        0.689   0.943   0.635  0.00  0.00    +0.123 C 
BRANCH  16  17
ATOM     17  N   LIG    1        1.458   0.809  -0.602  0.00  0.00    -0.311 NA
ATOM     18  H   LIG    1        1.004   1.366  -1.325  0.00  0.00    +0.122 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.845   1.254  -0.461  0.00  0.00    +0.084 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.728   0.332   0.401  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        3.749  -1.113  -0.125  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1        4.730  -1.977   0.666  0.00  0.00    +0.081 C 
ATOM     23  N   LIG    1        6.082  -1.412   0.662  0.00  0.00    -0.316 NA
ATOM     24  H   LIG    1        6.416  -1.369  -0.300  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1        6.087  -0.064   1.231  0.00  0.00    +0.081 C 
ATOM     26  C   LIG    1        5.163   0.879   0.461  0.00  0.00    +0.020 C 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6