REMARK  Name = BDB027888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.872   0.355  -0.644  0.00  0.00    -0.333 N 
ATOM      2  H   LIG    1       -1.145  -0.324  -1.351  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.866   0.557   0.422  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -2.039  -0.700   1.283  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1       -1.497  -0.845   2.377  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -2.849  -1.684   0.768  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -2.956  -2.494   1.364  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -3.882  -1.490  -0.111  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.785  -2.315  -0.215  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.835  -0.238  -0.952  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -3.218   0.927  -0.192  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  16
ATOM     12  C   LIG    1        3.314   0.174   0.007  0.00  0.00    +0.155 A 
ATOM     13  C   LIG    1        2.733  -0.189  -1.208  0.00  0.00    +0.167 A 
ATOM     14  F   LIG    1        3.503  -0.596  -2.229  0.00  0.00    -0.202 F 
ATOM     15  C   LIG    1        1.352  -0.137  -1.399  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1        0.495   0.262  -0.367  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        1.086   0.663   0.837  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        2.477   0.608   1.030  0.00  0.00    +0.050 A 
BRANCH  12  20
ATOM     19  C   LIG    1        5.290   0.413   1.310  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        4.677   0.076   0.073  0.00  0.00    -0.492 OA
ENDBRANCH  12  20
ENDBRANCH   1  16
TORSDOF 3