REMARK  Name = BDB060581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.873  -2.974  -0.743  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1        1.555  -1.673  -0.484  0.00  0.00    +0.022 A 
ATOM      3  N   LIG    1        0.915  -0.504  -0.082  0.00  0.00    -0.317 N 
ATOM      4  C   LIG    1        1.893   0.468   0.147  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.579   1.890   0.494  0.00  0.00    +0.064 C 
ATOM      6  C   LIG    1        3.133  -0.103  -0.099  0.00  0.00    -0.003 A 
ATOM      7  C   LIG    1        2.916  -1.436  -0.496  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        4.379   0.580   0.065  0.00  0.00    +0.030 C 
ATOM      9  C   LIG    1        5.501   0.470  -0.661  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        6.706   1.281  -0.339  0.00  0.00    +0.258 C 
ATOM     11  O   LIG    1        6.800   2.077   0.582  0.00  0.00    -0.269 OA
ATOM     12  N   LIG    1        7.700   1.009  -1.229  0.00  0.00    -0.243 N 
ATOM     13  H   LIG    1        8.593   1.469  -1.170  0.00  0.00    +0.159 HD
ATOM     14  C   LIG    1        7.446   0.112  -2.214  0.00  0.00    +0.283 C 
ATOM     15  O   LIG    1        8.226  -0.229  -3.087  0.00  0.00    -0.262 OA
ATOM     16  S   LIG    1        5.814  -0.497  -2.053  0.00  0.00    -0.026 S 
ENDBRANCH   6   8
BRANCH   3  17
ATOM     17  C   LIG    1       -0.491  -0.337   0.084  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -1.376  -0.803  -0.893  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -2.755  -0.637  -0.726  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -3.279  -0.011   0.416  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -2.376   0.448   1.389  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -0.995   0.291   1.227  0.00  0.00    +0.027 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.731   0.160   0.589  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1       -5.509   0.789  -0.397  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -6.888   0.951  -0.234  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -7.512   0.486   0.920  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.761  -0.141   1.910  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.382  -0.302   1.746  0.00  0.00    +0.008 A 
ENDBRANCH  20  23
ENDBRANCH   3  17
TORSDOF 3