REMARK  Name = BDB025479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.013   1.073   0.209  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.325   0.090   1.164  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1       -1.351  -0.887   1.222  0.00  0.00    +0.257 C 
ATOM      4  O   LIG    1       -1.524  -1.523   2.262  0.00  0.00    -0.270 OA
ATOM      5  N   LIG    1        0.577   0.113   2.204  0.00  0.00    -0.166 NA
ATOM      6  C   LIG    1        1.517   0.977   1.835  0.00  0.00    +0.084 A 
ATOM      7  C   LIG    1        2.741   1.262   2.650  0.00  0.00    +0.167 C 
ATOM      8  N   LIG    1        3.770   1.905   1.784  0.00  0.00    -0.170 NA
ATOM      9  C   LIG    1        3.252   3.013   0.929  0.00  0.00    +0.114 C 
ATOM     10  C   LIG    1        2.141   2.571  -0.039  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        1.228   1.587   0.601  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -2.156  -1.114  -0.038  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.548  -0.495  -0.011  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -4.595  -1.121  -0.723  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.876  -0.547  -0.709  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -6.117   0.658  -0.051  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -5.079   1.280   0.621  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -5.300   2.439   1.253  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1       -4.439  -2.377  -1.315  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -5.072  -2.546  -2.093  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -3.095  -2.891  -1.506  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -3.806   0.719   0.651  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -2.258  -2.633  -0.266  0.00  0.00    +0.036 C 
ENDBRANCH   3  12
BRANCH   1  24
ATOM     24  N   LIG    1       -0.710   1.435  -0.881  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -0.394   2.238  -1.426  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -1.729   1.407  -0.881  0.00  0.00    +0.144 HD
ENDBRANCH   1  24
BRANCH   8  27
ATOM     27  S   LIG    1        5.050   0.950   1.245  0.00  0.00    +0.063 S 
ATOM     28  O   LIG    1        5.953   1.806   0.504  0.00  0.00    -0.153 OA
ATOM     29  O   LIG    1        5.527   0.167   2.364  0.00  0.00    -0.153 OA
BRANCH  27  30
ATOM     30  C   LIG    1        4.331  -0.177   0.098  0.00  0.00    +0.123 A 
ATOM     31  C   LIG    1        4.457   0.055  -1.260  0.00  0.00    +0.139 A 
ATOM     32  N   LIG    1        3.941  -0.770  -2.204  0.00  0.00    -0.261 NA
ATOM     33  C   LIG    1        3.317  -1.887  -1.763  0.00  0.00    +0.111 A 
ATOM     34  C   LIG    1        3.182  -2.218  -0.424  0.00  0.00    +0.022 A 
ATOM     35  C   LIG    1        3.709  -1.349   0.527  0.00  0.00    +0.031 A 
ENDBRANCH  27  30
ENDBRANCH   8  27
TORSDOF 4