REMARK  Name = BDB060691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.348  -0.787  -0.684  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -0.069  -0.835  -0.766  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1       -0.360  -1.748  -1.772  0.00  0.00    +0.154 A 
ATOM      4  C   LIG    1       -1.657  -2.062  -2.143  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -2.653  -1.392  -1.429  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -2.309  -0.481  -0.424  0.00  0.00    +0.075 A 
ATOM      7  O   LIG    1        0.783  -2.256  -2.305  0.00  0.00    -0.461 OA
ATOM      8  N   LIG    1       -1.034  -0.182  -0.069  0.00  0.00    -0.243 NA
ATOM      9  C   LIG    1        1.815  -1.667  -1.639  0.00  0.00    +0.206 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.057   1.419   1.811  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        3.765   0.999   1.325  0.00  0.00    -0.274 N 
ATOM     12  N   LIG    1        2.652   1.520   1.872  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        1.662   0.924   1.198  0.00  0.00    +0.143 A 
ATOM     14  C   LIG    1        2.143   0.026   0.224  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        3.514   0.097   0.331  0.00  0.00    +0.116 A 
ENDBRANCH   1  14
BRANCH   6  16
ATOM     16  C   LIG    1       -3.344   0.222   0.325  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1       -3.102   1.136   1.331  0.00  0.00    +0.115 A 
ATOM     18  N   LIG    1       -4.318   1.562   1.773  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -4.519   2.235   2.506  0.00  0.00    +0.188 HD
ATOM     20  N   LIG    1       -5.349   0.993   1.128  0.00  0.00    -0.182 NA
ATOM     21  C   LIG    1       -4.755   0.180   0.249  0.00  0.00    +0.144 A 
ENDBRANCH   6  16
TORSDOF 2