REMARK  Name = BDB043070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.982   0.556  -0.543  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.811   0.294  -0.281  0.00  0.00    +0.218 C 
ATOM      3  N   LIG    1       -2.800   0.658  -1.131  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -3.091   1.101  -1.993  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -1.443   0.453  -0.868  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.040   0.022   0.398  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1        0.326  -0.163   0.663  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        1.286   0.066  -0.336  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.859   0.503  -1.600  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -2.070  -0.123   1.484  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1       -0.501   0.703  -1.861  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1       -3.416  -0.541   0.915  0.00  0.00    +0.101 C 
ENDROOT
BRANCH   8  13
ATOM     13  N   LIG    1        2.673  -0.133  -0.067  0.00  0.00    -0.306 N 
ATOM     14  C   LIG    1        3.731   0.059  -0.932  0.00  0.00    +0.204 A 
ATOM     15  N   LIG    1        4.895  -0.213  -0.383  0.00  0.00    -0.244 NA
ATOM     16  C   LIG    1        4.603  -0.600   0.891  0.00  0.00    +0.130 A 
ATOM     17  C   LIG    1        3.246  -0.561   1.112  0.00  0.00    +0.112 A 
ENDBRANCH   8  13
TORSDOF 1