REMARK  Name = BDB016518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.819  -1.800  -2.359  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1        3.264  -0.636  -1.712  0.00  0.00    -0.272 N 
ATOM      3  N   LIG    1        2.715  -0.758  -0.501  0.00  0.00    -0.165 NA
ATOM      4  C   LIG    1        2.297   0.490  -0.177  0.00  0.00    +0.168 A 
ATOM      5  C   LIG    1        1.760   0.774   1.169  0.00  0.00    +0.266 C 
ATOM      6  N   LIG    1        1.015  -0.183   1.840  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1        0.833   0.080   2.799  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1        0.789  -1.561   1.441  0.00  0.00    +0.108 C 
ATOM      9  C   LIG    1       -0.413  -2.199   2.142  0.00  0.00    +0.045 C 
ATOM     10  C   LIG    1       -0.648  -3.585   1.600  0.00  0.00    -0.029 C 
ATOM     11  C   LIG    1       -1.683  -4.006   0.855  0.00  0.00    -0.029 C 
ATOM     12  C   LIG    1       -2.892  -3.207   0.443  0.00  0.00    +0.050 C 
ATOM     13  C   LIG    1       -2.707  -2.433  -0.868  0.00  0.00    +0.147 C 
ATOM     14  N   LIG    1       -2.794  -0.997  -0.659  0.00  0.00    -0.271 N 
ATOM     15  N   LIG    1       -3.977  -0.450  -0.317  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -3.655   0.807   0.000  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1       -2.277   1.079  -0.167  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -1.493   2.256   0.158  0.00  0.00    +0.075 A 
ATOM     19  N   LIG    1       -0.294   2.388  -0.461  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        0.454   3.469  -0.110  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        1.715   3.734  -0.857  0.00  0.00    +0.267 C 
ATOM     22  N   LIG    1        2.451   2.755  -1.475  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1        3.065   3.146  -2.179  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        2.061   4.909  -1.031  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1        0.044   4.424   0.818  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1       -1.185   4.264   1.439  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -1.968   3.166   1.104  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -1.769  -0.098  -0.677  0.00  0.00    +0.118 A 
ATOM     29  O   LIG    1        1.973   1.840   1.751  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        2.601   1.401  -1.245  0.00  0.00    +0.084 A 
ATOM     31  C   LIG    1        3.250   0.632  -2.189  0.00  0.00    +0.132 A 
ENDROOT
TORSDOF 0