REMARK  Name = BDB028269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.802   0.908  -0.218  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.535   0.620   0.501  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.276   1.353   1.657  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.102   1.139   2.387  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.180   0.184   1.954  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.428  -0.556   0.793  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -4.255   2.356   2.107  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.069   3.019   3.120  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.376   2.496   1.327  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.062   3.185   1.621  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -2.610  -0.340   0.069  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.658   1.800   0.193  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -0.482  -1.554   0.339  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        0.845  -1.317   0.026  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        1.689  -0.092   0.056  0.00  0.00    +0.163 C 
ATOM     16  N   LIG    1        3.011  -0.322  -0.524  0.00  0.00    -0.294 N 
ATOM     17  C   LIG    1        3.603  -1.652  -0.344  0.00  0.00    +0.131 C 
ATOM     18  C   LIG    1        2.684  -2.749  -0.859  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1        3.758   0.821  -0.800  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1        3.298   1.955  -0.739  0.00  0.00    -0.275 OA
ATOM     21  N   LIG    1        1.338  -2.525  -0.381  0.00  0.00    -0.265 N 
ATOM     22  N   LIG    1        0.442  -3.523  -0.366  0.00  0.00    -0.179 NA
ATOM     23  C   LIG    1       -0.672  -2.929   0.068  0.00  0.00    +0.143 A 
BRANCH  19  24
ATOM     24  C   LIG    1        5.181   0.632  -1.198  0.00  0.00    +0.075 C 
ATOM     25  C   LIG    1        6.242   0.398  -0.145  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        6.203   1.702  -0.880  0.00  0.00    +0.013 C 
ENDBRANCH  19  24
ENDBRANCH   6  13
BRANCH   1  27
ATOM     27  C   LIG    1       -5.110   0.119  -1.495  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -6.396   0.531  -2.072  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -6.356   1.542  -2.222  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -7.105   0.437  -1.341  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 4