REMARK  Name = BDB023961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.126   5.383   0.394  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.760   4.166   0.320  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.150   2.944   0.070  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.057   1.792  -0.101  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.312   0.508   0.024  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.769  -0.838   0.001  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.270  -1.687   0.077  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1        1.365  -0.909   0.184  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        1.062   0.418   0.130  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.967   1.592   0.171  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        1.231   2.804  -0.439  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -1.975   4.277   0.490  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -2.137  -1.339  -0.126  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -3.176  -0.783   0.639  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1       -4.471  -1.290   0.458  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -4.760  -2.322  -0.434  0.00  0.00    -0.000 A 
ATOM     17  C   LIG    1       -6.157  -2.570  -0.349  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -6.683  -1.699   0.577  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1       -3.709  -2.884  -1.181  0.00  0.00    +0.010 A 
ATOM     20  N   LIG    1       -5.657  -0.933   1.062  0.00  0.00    -0.361 N 
ATOM     21  H   LIG    1       -5.749  -0.206   1.758  0.00  0.00    +0.165 HD
ATOM     22  C   LIG    1       -2.409  -2.386  -1.016  0.00  0.00    +0.011 A 
ENDBRANCH   6  13
BRANCH   8  23
ATOM     23  C   LIG    1        2.661  -1.567   0.307  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1        3.500  -1.449  -0.973  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        4.990  -1.447  -0.661  0.00  0.00    +0.162 C 
ATOM     26  O   LIG    1        5.263  -2.354   0.399  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1        4.739  -1.931   1.659  0.00  0.00    +0.162 C 
ATOM     28  C   LIG    1        3.446  -1.129   1.543  0.00  0.00    +0.055 C 
ENDBRANCH   8  23
TORSDOF 2