REMARK  Name = BDB025428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.387  -0.266   1.343  0.00  0.00    +0.279 C 
ATOM      2  N   LIG    1       -0.235  -0.478   0.094  0.00  0.00    -0.197 N 
ATOM      3  C   LIG    1       -1.453  -0.010  -0.352  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -2.381   0.876   0.398  0.00  0.00    +0.165 C 
ATOM      5  N   LIG    1       -3.682   0.941  -0.356  0.00  0.00    -0.175 NA
ATOM      6  C   LIG    1       -3.485   1.124  -1.843  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1       -2.797  -0.115  -2.453  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1       -1.609  -0.468  -1.642  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1       -0.470  -1.241  -1.888  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1        0.350  -1.273  -0.845  0.00  0.00    -0.149 NA
ATOM     11  O   LIG    1       -0.261   0.331   2.204  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  18
ATOM     12  C   LIG    1        5.233   0.783  -1.716  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1        4.454   0.220  -0.587  0.00  0.00    +0.014 A 
ATOM     14  N   LIG    1        5.050  -0.503   0.414  0.00  0.00    -0.358 N 
ATOM     15  H   LIG    1        6.038  -0.706   0.476  0.00  0.00    +0.166 HD
ATOM     16  C   LIG    1        4.115  -0.907   1.340  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        2.868  -0.447   0.904  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        1.738  -0.741   1.699  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1        1.898  -1.446   2.906  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1        3.155  -1.892   3.304  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        4.285  -1.636   2.524  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        3.105   0.272  -0.305  0.00  0.00    +0.031 A 
ENDBRANCH   1  18
BRANCH   5  23
ATOM     23  S   LIG    1       -4.817   2.023   0.305  0.00  0.00    +0.029 S 
ATOM     24  O   LIG    1       -6.018   1.944  -0.501  0.00  0.00    -0.158 OA
ATOM     25  O   LIG    1       -4.149   3.289   0.519  0.00  0.00    -0.158 OA
ATOM     26  C   LIG    1       -5.183   1.286   1.885  0.00  0.00    +0.215 C 
ENDBRANCH   5  23
BRANCH   9  27
ATOM     27  N   LIG    1       -0.225  -1.887  -3.033  0.00  0.00    -0.341 N 
ATOM     28  H   LIG    1        0.518  -2.578  -2.994  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1       -0.993  -2.166  -3.630  0.00  0.00    +0.144 HD
ENDBRANCH   9  27
TORSDOF 3