REMARK  Name = BDB060447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.637   0.786  -0.707  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -0.517   0.039  -0.035  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.506   1.327  -1.265  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        0.581   2.326  -1.969  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -5.942  -2.784   2.604  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -6.080  -1.513   1.933  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1       -6.432  -0.765   2.510  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1       -5.094  -1.102   1.052  0.00  0.00    +0.306 C 
ATOM      9  N   LIG    1       -5.347   0.152   0.460  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1       -4.331   0.844  -0.306  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -4.682   1.882  -1.192  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -3.692   2.528  -1.951  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -2.347   2.186  -1.815  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -1.971   1.199  -0.913  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -6.111   2.304  -1.386  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -6.896   2.043  -0.119  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -2.964   0.546  -0.164  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -6.741   0.584   0.269  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1       -4.118  -1.817   0.838  0.00  0.00    -0.252 OA
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  C   LIG    1        1.768   0.614  -0.916  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        2.937   1.364  -0.750  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        4.139   0.728  -0.424  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        4.201  -0.666  -0.271  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.026  -1.410  -0.457  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        1.818  -0.778  -0.781  0.00  0.00    +0.014 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.472  -1.321   0.069  0.00  0.00    +0.095 A 
ATOM     27  N   LIG    1        6.548  -0.608   0.447  0.00  0.00    -0.150 NA
ATOM     28  N   LIG    1        7.508  -1.536   0.675  0.00  0.00    -0.141 N 
ATOM     29  C   LIG    1        7.087  -2.818   0.459  0.00  0.00    +0.136 A 
ATOM     30  C   LIG    1        5.775  -2.714   0.063  0.00  0.00    +0.051 A 
BRANCH  28  31
ATOM     31  S   LIG    1        9.110  -1.190   1.201  0.00  0.00    +0.067 S 
ATOM     32  O   LIG    1        9.193  -1.766   2.531  0.00  0.00    -0.152 OA
ATOM     33  O   LIG    1        9.961  -1.658   0.121  0.00  0.00    -0.152 OA
ATOM     34  C   LIG    1        9.255   0.571   1.326  0.00  0.00    +0.223 C 
ENDBRANCH  28  31
ENDBRANCH  23  26
ENDBRANCH   3  20
TORSDOF 4