REMARK  Name = BDB039905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.354   0.165   0.053  0.00  0.00    +0.280 C 
ATOM      2  N   LIG    1       -1.152   0.813  -0.890  0.00  0.00    -0.180 N 
ATOM      3  H   LIG    1       -0.764   1.429  -1.592  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.819  -0.532   0.941  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        5.753   0.522   0.103  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        4.597   0.186   0.840  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        3.310   0.339   0.278  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        3.137   0.829  -1.011  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.744   0.846  -1.275  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        1.069   0.370  -0.158  0.00  0.00    +0.107 A 
ATOM     11  C   LIG    1        4.270   1.185  -1.756  0.00  0.00    +0.012 A 
ATOM     12  N   LIG    1        2.049   0.085   0.785  0.00  0.00    -0.339 N 
ATOM     13  C   LIG    1        1.778  -0.396   2.128  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1        5.547   1.033  -1.188  0.00  0.00    +0.024 A 
BRANCH   5  16
ATOM     15  C   LIG    1        8.201   0.496  -0.229  0.00  0.00    +0.129 C 
ATOM     16  N   LIG    1        7.039   0.392   0.651  0.00  0.00    -0.336 N 
ATOM     17  C   LIG    1        7.222  -0.435   1.843  0.00  0.00    +0.129 C 
ENDBRANCH   5  16
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  S   LIG    1       -2.804   0.956  -0.762  0.00  0.00    +0.075 S 
ATOM     19  O   LIG    1       -3.088   1.377   0.590  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -3.189   1.761  -1.905  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.451  -0.677  -1.057  0.00  0.00    +0.116 A 
ATOM     22  C   LIG    1       -4.742  -1.025  -0.615  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -5.183  -2.343  -0.848  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -4.381  -3.275  -1.509  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.119  -2.908  -1.961  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.654  -1.612  -1.742  0.00  0.00    +0.029 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -5.672  -0.090   0.033  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1       -6.335   0.897  -0.714  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -7.233   1.774  -0.101  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -7.484   1.672   1.266  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.838   0.695   2.020  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -5.940  -0.181   1.408  0.00  0.00    +0.008 A 
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH   2  18
TORSDOF 5