REMARK  Name = BDB064850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.990  -0.276   0.024  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1        3.111   0.521  -0.173  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        3.091   1.943  -0.360  0.00  0.00    +0.143 A 
ATOM      4  N   LIG    1        4.098   2.731  -0.560  0.00  0.00    -0.179 NA
ATOM      5  N   LIG    1        5.410   2.403  -0.640  0.00  0.00    -0.243 N 
ATOM      6  H   LIG    1        6.001   3.213  -0.809  0.00  0.00    +0.192 HD
ATOM      7  C   LIG    1        6.165   1.258  -0.532  0.00  0.00    +0.272 A 
ATOM      8  C   LIG    1        5.618  -0.084  -0.284  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        6.500  -1.181  -0.191  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        6.031  -2.473   0.037  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        4.665  -2.718   0.179  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        3.802  -1.622   0.086  0.00  0.00    +0.048 A 
ATOM     13  O   LIG    1        7.389   1.371  -0.655  0.00  0.00    -0.266 OA
ATOM     14  C   LIG    1        4.247  -0.318  -0.141  0.00  0.00    +0.021 A 
ATOM     15  N   LIG    1        2.434  -1.567   0.183  0.00  0.00    -0.354 N 
ATOM     16  H   LIG    1        1.834  -2.367   0.331  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1       -2.178   0.665   0.141  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1       -1.524   0.187   1.285  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -0.160  -0.118   1.247  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        0.569   0.046   0.064  0.00  0.00    -0.001 A 
ATOM     21  C   LIG    1       -0.081   0.514  -1.082  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -1.444   0.818  -1.044  0.00  0.00    +0.005 A 
BRANCH  17  23
ATOM     23  C   LIG    1       -3.653   0.991   0.171  0.00  0.00    +0.116 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.415  -0.021  -0.555  0.00  0.00    -0.310 NA
ATOM     25  H   LIG    1       -4.250  -0.934  -0.135  0.00  0.00    +0.122 HD
BRANCH  24  27
ATOM     26  C   LIG    1       -6.549   0.012   0.728  0.00  0.00    +0.023 C 
ATOM     27  C   LIG    1       -5.851   0.263  -0.610  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1       -6.462  -0.635  -1.688  0.00  0.00    +0.023 C 
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  17  23
ENDBRANCH   1  20
TORSDOF 4