REMARK  Name = BDB059424
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.575   0.670  -0.164  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1        0.821   0.850  -0.024  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        1.292   2.101   0.398  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1        0.413   3.159   0.647  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -0.957   2.982   0.475  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -1.451   1.741   0.080  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -2.869  -3.082  -2.761  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -2.166  -2.316  -1.699  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1       -1.750  -2.791  -0.466  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -1.153  -1.756   0.233  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -0.666  -1.947   1.525  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1       -0.761  -3.152   2.102  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1       -1.340  -4.197   1.420  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -1.414  -5.111   1.850  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -1.151  -0.620  -0.563  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1       -1.859  -4.105   0.137  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -2.358  -5.088  -0.404  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -1.796  -0.946  -1.745  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   2  19
ATOM     19  N   LIG    1        1.713  -0.215  -0.269  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1        1.341  -0.917  -0.903  0.00  0.00    +0.152 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.870  -0.639   0.410  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        3.741  -1.527  -0.238  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        4.924  -1.954   0.370  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        5.260  -1.491   1.639  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.414  -0.601   2.294  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.231  -0.175   1.680  0.00  0.00    +0.023 A 
ENDBRANCH  19  21
ENDBRANCH   2  19
BRANCH   5  27
ATOM     27  N   LIG    1       -1.821   4.086   0.722  0.00  0.00    -0.221 N 
ATOM     28  H   LIG    1       -1.470   4.838   1.314  0.00  0.00    +0.173 HD
BRANCH  27  29
ATOM     29  S   LIG    1       -2.828   4.661  -0.500  0.00  0.00    +0.040 S 
ATOM     30  O   LIG    1       -3.664   3.592  -0.997  0.00  0.00    -0.155 OA
ATOM     31  O   LIG    1       -3.403   5.886   0.016  0.00  0.00    -0.155 OA
ATOM     32  C   LIG    1       -1.666   5.114  -1.774  0.00  0.00    +0.218 C 
ENDBRANCH  27  29
ENDBRANCH   5  27
TORSDOF 5