REMARK  Name = BDB059874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.193   2.610  -0.369  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        2.373   1.545  -0.661  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        2.756   0.690  -1.042  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        2.853   3.730  -0.005  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        6.592   0.894  -0.571  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        5.223   1.092  -0.371  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        4.652   2.359  -0.564  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        5.468   3.439  -0.924  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        6.835   3.252  -1.111  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        7.393   1.984  -0.937  0.00  0.00    +0.023 A 
BRANCH   5  12
ATOM     11  C   LIG    1        6.636  -1.571  -0.182  0.00  0.00    +0.241 C 
ATOM     12  N   LIG    1        7.234  -0.352  -0.410  0.00  0.00    -0.282 N 
ATOM     13  H   LIG    1        8.236  -0.356  -0.546  0.00  0.00    +0.155 HD
ATOM     14  O   LIG    1        5.436  -1.814  -0.158  0.00  0.00    -0.271 OA
BRANCH  11  16
ATOM     15  C   LIG    1        8.805  -2.617   0.534  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1        7.593  -2.702  -0.030  0.00  0.00    +0.060 C 
ENDBRANCH  11  16
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  C   LIG    1        1.005   1.504  -0.566  0.00  0.00    +0.166 A 
ATOM     18  S   LIG    1        0.069   2.794   0.033  0.00  0.00    -0.046 S 
ATOM     19  C   LIG    1       -1.352   1.871  -0.202  0.00  0.00    +0.067 A 
ATOM     20  C   LIG    1       -1.013   0.642  -0.730  0.00  0.00    +0.135 A 
ATOM     21  N   LIG    1        0.340   0.434  -0.934  0.00  0.00    -0.232 NA
BRANCH  19  22
ATOM     22  S   LIG    1       -2.948   2.488   0.171  0.00  0.00    -0.107 S 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.392   1.448   1.597  0.00  0.00    +0.170 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.016   0.168   1.175  0.00  0.00    +0.206 A 
ATOM     25  O   LIG    1       -5.371   0.182   0.973  0.00  0.00    -0.443 OA
ATOM     26  C   LIG    1       -5.673  -1.101   0.596  0.00  0.00    +0.131 A 
ATOM     27  C   LIG    1       -4.495  -1.814   0.601  0.00  0.00    +0.156 A 
ATOM     28  N   LIG    1       -3.451  -1.006   0.971  0.00  0.00    -0.221 NA
BRANCH  26  29
ATOM     29  C   LIG    1       -7.111  -1.405   0.288  0.00  0.00    +0.022 C 
ATOM     30  C   LIG    1       -7.976  -1.133   1.532  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1       -7.591  -0.516  -0.873  0.00  0.00    +0.019 C 
ATOM     32  C   LIG    1       -7.285  -2.879  -0.119  0.00  0.00    +0.019 C 
ENDBRANCH  26  29
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 8