REMARK  Name = BDB026812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.205   1.156   0.366  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.030   2.438   0.340  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.511   2.963  -0.871  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.256   4.143  -0.887  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.519   4.819   0.303  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.034   4.319   1.509  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.289   3.138   1.529  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -0.650  -0.313  -1.538  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -0.939  -0.004  -0.378  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.998  -0.735   0.341  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.745  -1.866  -0.141  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.645  -2.239   0.859  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.534  -3.313   0.724  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.504  -4.033  -0.473  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.620  -3.690  -1.492  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -3.464  -1.372   1.909  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -3.992  -1.402   2.770  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -2.740  -2.613  -1.339  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -2.476  -0.470   1.614  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        1.135   1.433  -0.215  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        1.480   2.310   0.172  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.093   0.359   0.063  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.427   0.651  -0.636  0.00  0.00    +0.052 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.451  -0.413  -0.348  0.00  0.00    -0.028 A 
ATOM     25  C   LIG    1        4.444  -1.621  -1.041  0.00  0.00    +0.114 A 
ATOM     26  N   LIG    1        5.320  -2.627  -0.819  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1        6.250  -2.421   0.137  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        6.342  -1.260   0.884  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        5.426  -0.242   0.638  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7