REMARK  Name = BDB056865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.591   4.619   2.838  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.450   3.639   2.933  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.540   2.478   2.175  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.444   1.507   2.361  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.464   0.478   1.286  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.546  -0.560   0.992  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -0.954  -1.268  -0.072  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.107  -0.689  -0.468  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.454   0.362   0.332  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -3.619   1.276   0.242  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.809   1.973   1.607  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -1.484   3.884   3.656  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.689  -0.895   1.697  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.957  -0.847   1.054  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.115  -1.162   1.798  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        4.374  -1.108   1.181  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        4.468  -0.740  -0.157  0.00  0.00    +0.075 A 
ATOM     18  N   LIG    1        3.382  -0.430  -0.898  0.00  0.00    -0.254 NA
ATOM     19  C   LIG    1        2.996  -1.524   3.150  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        1.749  -1.577   3.771  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.172  -0.494  -0.287  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        0.601  -1.264   3.049  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  C   LIG    1        5.751  -0.669  -0.836  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        5.919  -0.324  -2.163  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1        7.257  -0.374  -2.413  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        7.917  -0.095  -3.664  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        7.989  -0.728  -1.340  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        7.071  -0.906  -0.385  0.00  0.00    +0.144 A 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -2.802  -1.269  -1.611  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -4.079  -2.001  -1.200  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -4.726  -2.670  -2.408  0.00  0.00    +0.162 C 
ATOM     32  O   LIG    1       -4.476  -1.994  -3.640  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -4.336  -0.587  -3.498  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -3.046  -0.272  -2.754  0.00  0.00    +0.055 C 
ENDBRANCH   8  29
TORSDOF 3