REMARK  Name = BDB056309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.318   1.270   0.165  0.00  0.00    +0.204 C 
ATOM      2  C   LIG    1       -0.250   0.471   1.475  0.00  0.00    +0.141 C 
ATOM      3  C   LIG    1        1.169   0.144   2.003  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1        1.706   1.279   2.856  0.00  0.00    +0.164 C 
ATOM      5  O   LIG    1        0.918   1.504   4.026  0.00  0.00    -0.379 OA
ATOM      6  C   LIG    1       -0.434   1.054   3.941  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1       -1.015   1.294   2.557  0.00  0.00    +0.078 C 
ATOM      8  O   LIG    1       -0.979  -0.754   1.387  0.00  0.00    -0.481 OA
ATOM      9  C   LIG    1       -0.974  -1.597   0.320  0.00  0.00    +0.143 A 
ATOM     10  C   LIG    1       -0.279  -1.551  -0.904  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1       -0.524  -2.630  -1.792  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -1.393  -3.687  -1.500  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -2.062  -3.710  -0.295  0.00  0.00    +0.004 A 
ATOM     14  N   LIG    1        0.652  -0.524  -1.319  0.00  0.00    -0.261 N 
ATOM     15  C   LIG    1       -1.850  -2.671   0.600  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        0.732   0.764  -0.805  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        1.683   1.511  -1.074  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -2.121   2.320  -1.213  0.00  0.00    +0.230 C 
ATOM     19  N   LIG    1       -1.648   1.285  -0.441  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1       -2.322   0.556  -0.216  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1       -1.453   3.310  -1.491  0.00  0.00    -0.274 OA
BRANCH  18  22
ATOM     22  C   LIG    1       -3.551   2.068  -1.745  0.00  0.00    +0.137 C 
ATOM     23  C   LIG    1       -4.189   3.338  -2.299  0.00  0.00    +0.034 C 
BRANCH  22  25
ATOM     24  C   LIG    1       -4.734   2.194   0.415  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1       -4.378   1.360  -0.730  0.00  0.00    -0.309 NA
ATOM     26  H   LIG    1       -5.241   1.056  -1.183  0.00  0.00    +0.122 HD
ENDBRANCH  22  25
ENDBRANCH  18  22
ENDBRANCH   1  19
BRANCH  14  27
ATOM     27  C   LIG    1        1.669  -0.836  -2.349  0.00  0.00    +0.173 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.722  -1.760  -1.824  0.00  0.00    +0.109 A 
ATOM     29  C   LIG    1        3.854  -1.452  -1.021  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        4.472  -2.676  -0.837  0.00  0.00    +0.168 A 
ATOM     31  C   LIG    1        5.631  -2.870  -0.090  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1        6.187  -1.729   0.496  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        5.601  -0.471   0.327  0.00  0.00    +0.001 A 
ATOM     34  O   LIG    1        3.776  -3.637  -1.498  0.00  0.00    -0.354 OA
ATOM     35  C   LIG    1        4.433  -0.314  -0.433  0.00  0.00    +0.013 A 
ATOM     36  N   LIG    1        2.688  -3.067  -2.135  0.00  0.00    -0.080 NA
ENDBRANCH  27  28
ENDBRANCH  14  27
TORSDOF 5