REMARK  Name = BDB025279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.856   0.966   0.377  0.00  0.00    +0.404 C 
ATOM      2  N   LIG    1        1.519   0.603   0.385  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        1.136  -0.812   0.289  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1       -0.331  -0.960   0.045  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.080  -2.148  -0.167  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -2.409  -1.766  -0.336  0.00  0.00    +0.142 A 
ATOM      7  N   LIG    1       -2.479  -0.390  -0.256  0.00  0.00    -0.317 N 
ATOM      8  N   LIG    1       -3.466  -2.583  -0.535  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1       -3.126  -3.891  -0.588  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1       -1.844  -4.402  -0.447  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.786  -3.521  -0.229  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -1.222   0.101   0.007  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -0.806   1.522   0.183  0.00  0.00    +0.073 C 
ATOM     14  C   LIG    1        0.542   1.557   0.928  0.00  0.00    +0.117 C 
ATOM     15  O   LIG    1        3.256   2.092   0.641  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   7  16
ATOM     16  C   LIG    1       -3.744   0.339  -0.352  0.00  0.00    +0.175 C 
ATOM     17  C   LIG    1       -3.673   1.567  -1.246  0.00  0.00    +0.242 C 
ATOM     18  O   LIG    1       -2.986   1.648  -2.262  0.00  0.00    -0.273 OA
ATOM     19  N   LIG    1       -4.500   2.616  -0.905  0.00  0.00    -0.255 N 
ATOM     20  H   LIG    1       -4.468   3.417  -1.522  0.00  0.00    +0.158 HD
ATOM     21  C   LIG    1       -5.482   2.640   0.053  0.00  0.00    +0.219 C 
ATOM     22  O   LIG    1       -6.248   3.594   0.152  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1       -5.609   1.408   0.914  0.00  0.00    +0.099 C 
ATOM     24  C   LIG    1       -4.277   0.688   1.039  0.00  0.00    +0.044 C 
ENDBRANCH   7  16
BRANCH   1  25
ATOM     25  O   LIG    1        3.666  -0.076   0.049  0.00  0.00    -0.445 OA
BRANCH  25  27
ATOM     26  C   LIG    1        5.701   0.463   1.330  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        5.105   0.089  -0.032  0.00  0.00    +0.107 C 
ATOM     28  C   LIG    1        5.493   1.091  -1.124  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        5.630  -1.299  -0.431  0.00  0.00    +0.055 C 
ENDBRANCH  25  27
ENDBRANCH   1  25
TORSDOF 3