REMARK  Name = BDB041955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.305   0.459  -0.256  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.898  -0.236   0.763  0.00  0.00    +0.254 C 
ATOM      3  O   LIG    1        0.373  -0.889   1.645  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.340  -0.069   0.600  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        2.545   0.690  -0.538  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        3.812   1.022  -0.977  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        4.892   0.557  -0.220  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.683  -0.218   0.941  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.389  -0.542   1.363  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.233   1.010  -1.097  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        1.060   1.655  -2.113  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  O   LIG    1       -5.581   0.302   0.260  0.00  0.00    -0.278 OA
ATOM     13  C   LIG    1       -4.849  -0.429  -0.393  0.00  0.00    +0.346 C 
ATOM     14  N   LIG    1       -3.583  -0.838  -0.023  0.00  0.00    -0.223 N 
ATOM     15  N   LIG    1       -2.742  -1.400  -0.985  0.00  0.00    -0.230 N 
ATOM     16  H   LIG    1       -2.917  -2.361  -1.267  0.00  0.00    +0.173 HD
ATOM     17  C   LIG    1       -1.453  -0.941  -1.150  0.00  0.00    +0.250 C 
ATOM     18  O   LIG    1       -0.647  -1.604  -1.803  0.00  0.00    -0.272 OA
ATOM     19  C   LIG    1       -1.127   0.439  -0.539  0.00  0.00    +0.173 C 
ATOM     20  C   LIG    1       -1.984   0.836   0.672  0.00  0.00    +0.053 C 
ATOM     21  C   LIG    1       -2.881  -0.301   1.130  0.00  0.00    +0.133 C 
ENDBRANCH   1  19
TORSDOF 1