REMARK  Name = BDB026813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.054   0.477  -0.195  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.377   1.644   0.739  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.988   2.788   0.189  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.310   3.890   0.984  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.021   3.874   2.344  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.409   2.759   2.909  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.088   1.654   2.114  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -1.408   0.120  -2.149  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -1.314  -0.061  -0.928  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.388  -0.761  -0.199  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -3.516  -1.441  -0.784  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -4.293  -1.954   0.256  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.471  -2.680   0.042  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -5.873  -2.890  -1.280  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.124  -2.394  -2.342  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -3.675  -1.603   1.430  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -4.024  -1.835   2.350  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -3.949  -1.671  -2.109  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -2.535  -0.889   1.172  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        0.699  -0.662   0.388  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        0.269  -0.941   1.266  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.131  -0.411   0.556  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.918  -0.586  -0.752  0.00  0.00    +0.052 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.394  -0.394  -0.532  0.00  0.00    -0.028 A 
ATOM     25  C   LIG    1        5.214  -1.463  -0.183  0.00  0.00    +0.114 A 
ATOM     26  N   LIG    1        6.540  -1.355   0.056  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1        7.079  -0.122  -0.062  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        6.352   1.007  -0.401  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        4.988   0.867  -0.636  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7