REMARK  Name = BDB051272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.438   1.244   1.356  0.00  0.00    +0.099 A 
ATOM      2  C   LIG    1        1.250   0.360   0.674  0.00  0.00    +0.149 A 
ATOM      3  N   LIG    1        1.073  -0.952   0.287  0.00  0.00    -0.306 N 
ATOM      4  H   LIG    1        0.221  -1.455   0.512  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1        2.056  -1.630  -0.408  0.00  0.00    +0.259 A 
ATOM      6  C   LIG    1        3.318  -0.891  -0.710  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1        3.487   0.437  -0.292  0.00  0.00    +0.080 A 
ATOM      8  C   LIG    1        4.667   1.135  -0.562  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        5.688   0.492  -1.263  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        5.531  -0.831  -1.685  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.349  -1.525  -1.410  0.00  0.00    +0.015 A 
ATOM     12  O   LIG    1        1.896  -2.791  -0.767  0.00  0.00    -0.267 OA
ATOM     13  N   LIG    1        2.424   1.027   0.406  0.00  0.00    -0.215 N 
ATOM     14  N   LIG    1        2.434   2.286   0.889  0.00  0.00    -0.172 NA
ATOM     15  C   LIG    1        1.248   2.396   1.496  0.00  0.00    +0.150 A 
ENDROOT
BRANCH   1  21
ATOM     16  C   LIG    1       -5.019   0.008  -0.599  0.00  0.00    +0.105 C 
ATOM     17  N   LIG    1       -3.994  -1.002  -0.340  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1       -3.793  -1.219   1.107  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1       -3.036  -0.091   1.833  0.00  0.00    +0.123 C 
ATOM     20  N   LIG    1       -1.784   0.261   1.159  0.00  0.00    -0.295 N 
ATOM     21  C   LIG    1       -0.889   1.041   1.903  0.00  0.00    +0.252 C 
ATOM     22  O   LIG    1       -1.187   1.517   2.996  0.00  0.00    -0.270 OA
ATOM     23  C   LIG    1       -1.931   0.483  -0.287  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1       -2.707  -0.657  -0.975  0.00  0.00    +0.103 C 
ENDBRANCH   1  21
TORSDOF 1