REMARK  Name = BDB060954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.031  -3.249   3.670  0.00  0.00    +0.018 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.205  -1.981   3.427  0.00  0.00    +0.098 C 
BRANCH   2   4
ATOM      3  O   LIG    1        0.704  -2.940   1.408  0.00  0.00    -0.274 OA
ATOM      4  C   LIG    1        0.780  -2.072   2.275  0.00  0.00    +0.232 C 
ATOM      5  N   LIG    1        1.703  -1.038   2.296  0.00  0.00    -0.207 N 
ATOM      6  H   LIG    1        1.645  -0.309   2.997  0.00  0.00    +0.177 HD
BRANCH   5   7
ATOM      7  N   LIG    1        2.638  -0.949   1.309  0.00  0.00    -0.188 NA
ATOM      8  C   LIG    1        3.421   0.080   1.369  0.00  0.00    +0.138 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.480   0.309   0.366  0.00  0.00    -0.005 A 
ATOM     10  C   LIG    1        5.296   1.437   0.491  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        6.313   1.684  -0.446  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1        6.503   0.781  -1.519  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        7.520   1.030  -2.455  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        8.339   2.154  -2.336  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        8.153   3.043  -1.281  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.673  -0.346  -1.628  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        7.146   2.810  -0.342  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        4.665  -0.582  -0.691  0.00  0.00    +0.010 A 
ENDBRANCH   8   9
ENDBRANCH   5   7
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  C   LIG    1       -1.881  -3.763   2.505  0.00  0.00    +0.098 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.615  -2.654   1.781  0.00  0.00    +0.232 C 
ATOM     21  N   LIG    1       -2.020  -2.325   0.565  0.00  0.00    -0.207 N 
ATOM     22  H   LIG    1       -1.046  -2.620   0.437  0.00  0.00    +0.177 HD
ATOM     23  O   LIG    1       -3.595  -2.110   2.285  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  N   LIG    1       -2.350  -1.219  -0.180  0.00  0.00    -0.188 NA
ATOM     25  C   LIG    1       -3.608  -0.915  -0.280  0.00  0.00    +0.139 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.065   0.284  -1.026  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.388   0.788  -0.884  0.00  0.00    -0.009 A 
ATOM     28  C   LIG    1       -5.756   1.908  -1.675  0.00  0.00    -0.017 A 
ATOM     29  C   LIG    1       -7.052   2.442  -1.584  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -7.996   1.898  -0.715  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -7.652   0.814   0.080  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -4.824   2.491  -2.549  0.00  0.00    +0.008 A 
ATOM     33  C   LIG    1       -3.529   1.993  -2.657  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -6.368   0.269   0.000  0.00  0.00    +0.009 A 
ATOM     35  C   LIG    1       -3.149   0.893  -1.898  0.00  0.00    +0.010 A 
ENDBRANCH  25  26
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 8