REMARK  Name = BDB025480
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.188  -3.545  -0.299  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        0.969  -2.423  -0.567  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        2.359  -2.297  -1.071  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1        2.619  -0.859  -1.542  0.00  0.00    +0.114 C 
ATOM      5  N   LIG    1        2.084   0.170  -0.592  0.00  0.00    -0.170 NA
ATOM      6  C   LIG    1        0.609   0.082  -0.374  0.00  0.00    +0.165 C 
ATOM      7  C   LIG    1        0.177  -1.333  -0.247  0.00  0.00    +0.069 A 
ATOM      8  N   LIG    1       -1.048  -1.848   0.187  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1       -2.270  -1.269   0.635  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -3.167  -2.003   1.050  0.00  0.00    -0.270 OA
ATOM     11  N   LIG    1       -1.010  -3.216   0.148  0.00  0.00    -0.149 NA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -2.390   0.240   0.604  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.800   0.689   0.243  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -4.646   1.264   1.209  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.914   1.722   0.819  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -6.368   1.552  -0.490  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -5.541   0.945  -1.422  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -5.968   0.785  -2.681  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1       -4.204   1.529   2.513  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -4.976   1.542   3.176  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -3.080   0.727   2.973  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -4.265   0.517  -1.073  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -1.947   0.806   1.960  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   1  24
ATOM     24  N   LIG    1        0.589  -4.810  -0.461  0.00  0.00    -0.341 N 
ATOM     25  H   LIG    1       -0.015  -5.502  -0.027  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        1.569  -5.039  -0.352  0.00  0.00    +0.144 HD
ENDBRANCH   1  24
BRANCH   5  27
ATOM     27  S   LIG    1        2.993   0.518   0.803  0.00  0.00    +0.063 S 
ATOM     28  O   LIG    1        3.267  -0.729   1.481  0.00  0.00    -0.153 OA
ATOM     29  O   LIG    1        2.347   1.615   1.492  0.00  0.00    -0.153 OA
BRANCH  27  30
ATOM     30  C   LIG    1        4.499   1.142   0.148  0.00  0.00    +0.123 A 
ATOM     31  C   LIG    1        5.677   0.447   0.344  0.00  0.00    +0.139 A 
ATOM     32  N   LIG    1        6.869   0.867  -0.145  0.00  0.00    -0.261 NA
ATOM     33  C   LIG    1        6.873   2.033  -0.830  0.00  0.00    +0.111 A 
ATOM     34  C   LIG    1        5.739   2.800  -1.058  0.00  0.00    +0.022 A 
ATOM     35  C   LIG    1        4.524   2.344  -0.557  0.00  0.00    +0.031 A 
ENDBRANCH  27  30
ENDBRANCH   5  27
TORSDOF 4