REMARK  Name = BDB003631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.509  -1.152   0.740  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1       -1.487  -0.206   0.503  0.00  0.00    +0.080 A 
ATOM      3  C   LIG    1       -0.778   0.906   0.071  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -1.517   2.068  -0.281  0.00  0.00    +0.144 A 
ATOM      5  C   LIG    1       -2.925   2.018  -0.159  0.00  0.00    +0.135 A 
ATOM      6  C   LIG    1       -3.655   0.901   0.289  0.00  0.00    +0.035 A 
ATOM      7  N   LIG    1       -3.367   3.227  -0.550  0.00  0.00    -0.049 NA
ATOM      8  O   LIG    1       -2.228   3.965  -0.893  0.00  0.00    -0.242 OA
ATOM      9  N   LIG    1       -1.053   3.219  -0.720  0.00  0.00    -0.048 NA
ATOM     10  C   LIG    1        0.601   0.680   0.072  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1        1.763   1.539  -0.287  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1        3.076   0.949   0.265  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1        3.170  -0.573   0.049  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1        2.027  -1.335   0.747  0.00  0.00    +0.056 C 
ATOM     15  C   LIG    1       -2.895  -0.239   0.627  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        0.738  -0.628   0.514  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -0.978  -3.310   0.126  0.00  0.00    +0.230 C 
ATOM     18  O   LIG    1       -0.752  -2.439   1.229  0.00  0.00    -0.270 OA
ENDBRANCH   1  18
TORSDOF 1