REMARK  Name = BDB027995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.944   0.415   0.746  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        3.781   0.436   0.355  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1        2.753   0.745   1.208  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1        3.028   0.853   2.175  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1        1.428   0.406   1.029  0.00  0.00    +0.240 C 
ATOM      6  O   LIG    1        0.707   0.264   2.016  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1        0.997   0.209  -0.439  0.00  0.00    +0.161 C 
ATOM      8  C   LIG    1        2.082  -0.596  -1.159  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1        3.405   0.148  -1.079  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1       -0.300  -0.453  -0.620  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1       -1.412   0.359  -0.264  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1       -2.499  -0.408   0.148  0.00  0.00    -0.006 A 
ATOM     13  C   LIG    1       -3.690   0.195   0.502  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -3.743   1.583   0.442  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.609   2.278   0.026  0.00  0.00    +0.113 A 
ATOM     16  C   LIG    1       -2.142  -1.850   0.105  0.00  0.00    +0.057 C 
ATOM     17  N   LIG    1       -1.440   1.696  -0.335  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1       -0.609  -1.752  -0.004  0.00  0.00    +0.112 C 
ENDBRANCH   7  10
TORSDOF 1