REMARK  Name = BDB049348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.735  -0.559  -0.316  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        3.067   0.674  -0.364  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.664   0.685  -0.377  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.809   1.751  -0.412  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -0.412   1.248  -0.398  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.364  -0.129  -0.376  0.00  0.00    -0.322 N 
ATOM      7  C   LIG    1        0.963  -0.513  -0.349  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        1.603  -1.758  -0.302  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        3.004  -1.754  -0.287  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -1.659   2.183  -0.399  0.00  0.00    +0.058 A 
ATOM     11  C   LIG    1       -1.597   3.550  -0.431  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1       -0.658   4.683  -0.478  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1       -1.585   5.882  -0.131  0.00  0.00    +0.029 C 
ATOM     14  C   LIG    1       -3.022   5.428  -0.453  0.00  0.00    +0.144 C 
ATOM     15  N   LIG    1       -2.875   3.988  -0.420  0.00  0.00    -0.268 N 
ATOM     16  N   LIG    1       -3.806   3.042  -0.380  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1       -3.057   1.924  -0.364  0.00  0.00    +0.146 A 
ENDBRANCH   5  10
BRANCH   1  20
ATOM     18  C   LIG    1        5.828  -2.022  -2.400  0.00  0.00    +0.070 C 
ATOM     19  C   LIG    1        6.104  -1.232  -1.179  0.00  0.00    +0.088 A 
ATOM     20  C   LIG    1        5.181  -0.601  -0.302  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        5.980  -0.007   0.651  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1        5.731   0.797   1.863  0.00  0.00    +0.090 C 
ATOM     23  O   LIG    1        7.285  -0.261   0.362  0.00  0.00    -0.359 OA
ATOM     24  N   LIG    1        7.367  -1.033  -0.781  0.00  0.00    -0.083 NA
ENDBRANCH   1  20
BRANCH   6  25
ATOM     25  C   LIG    1       -1.481  -1.057  -0.393  0.00  0.00    +0.139 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.979  -1.375   1.026  0.00  0.00    +0.106 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.083  -2.335   1.160  0.00  0.00    -0.296 NA
ATOM     28  C   LIG    1       -2.757  -3.686   0.670  0.00  0.00    +0.112 C 
ATOM     29  C   LIG    1       -3.926  -4.657   0.911  0.00  0.00    +0.175 C 
ATOM     30  O   LIG    1       -5.122  -4.185   0.275  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1       -5.476  -2.894   0.792  0.00  0.00    +0.175 C 
ATOM     32  C   LIG    1       -4.348  -1.876   0.556  0.00  0.00    +0.112 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 5