REMARK  Name = BDB008966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.239  -2.344  -0.560  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.152  -1.551   0.370  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -2.803  -0.295  -0.120  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -2.613   0.178  -1.534  0.00  0.00    +0.037 C 
ATOM      5  C   LIG    1       -3.598   1.278  -1.944  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.749   2.319  -0.843  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -4.246   1.677   0.454  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -3.557   0.377   0.768  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.740  -0.151   2.143  0.00  0.00    +0.268 A 
ATOM     10  O   LIG    1       -4.440   0.424   2.970  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1       -3.084  -1.318   2.428  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -3.196  -1.694   3.363  0.00  0.00    +0.192 HD
ATOM     13  N   LIG    1       -2.292  -2.019   1.574  0.00  0.00    -0.175 NA
ENDBRANCH   1   2
BRANCH   1  17
ATOM     14  C   LIG    1        2.636  -0.639  -0.918  0.00  0.00    +0.125 A 
ATOM     15  N   LIG    1        2.142  -0.865   0.332  0.00  0.00    -0.250 NA
ATOM     16  C   LIG    1        0.906  -1.408   0.400  0.00  0.00    +0.115 A 
ATOM     17  C   LIG    1        0.129  -1.730  -0.713  0.00  0.00    -0.023 A 
ATOM     18  C   LIG    1        0.680  -1.500  -1.977  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        1.951  -0.942  -2.086  0.00  0.00    +0.033 A 
BRANCH  14  22
ATOM     20  N   LIG    1        4.558   0.265   0.239  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        4.038  -0.090   1.039  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        4.008  -0.038  -0.990  0.00  0.00    +0.262 C 
ATOM     23  O   LIG    1        4.571   0.145  -2.063  0.00  0.00    -0.269 OA
BRANCH  20  25
ATOM     24  C   LIG    1        6.192   1.329   1.714  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1        5.942   0.647   0.383  0.00  0.00    +0.101 C 
ENDBRANCH  20  25
ENDBRANCH  14  22
ENDBRANCH   1  17
TORSDOF 4