REMARK  Name = BDB017550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.143  -1.360   2.179  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.507  -0.355   1.253  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1       -3.158   0.224   0.136  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -2.486   1.268  -0.534  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -3.136   2.005  -1.530  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -2.673   2.790  -1.967  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -4.435   1.814  -1.889  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -5.123   0.641  -1.295  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -6.501   0.340  -1.824  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -7.228  -0.722  -0.997  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -6.284  -1.869  -0.665  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -5.102  -1.346   0.011  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -4.405  -2.070   0.169  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -4.988   2.551  -2.700  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -1.181   1.647  -0.203  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -0.505   1.010   0.837  0.00  0.00    -0.031 A 
ATOM     17  C   LIG    1       -4.509  -0.148  -0.388  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1       -1.181   0.027   1.565  0.00  0.00    +0.009 A 
ENDROOT
BRANCH  16  19
ATOM     19  C   LIG    1        0.908   1.416   1.204  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.848   1.316   0.077  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        2.021  -0.094  -0.359  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        3.445  -0.448  -0.846  0.00  0.00    +0.122 C 
ATOM     23  N   LIG    1        4.403  -0.228   0.250  0.00  0.00    -0.313 N 
ATOM     24  C   LIG    1        4.209   1.002   1.036  0.00  0.00    +0.122 C 
ATOM     25  C   LIG    1        3.150   1.935   0.400  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.708  -0.650   0.004  0.00  0.00    +0.121 A 
ATOM     27  N   LIG    1        6.021  -1.137  -1.218  0.00  0.00    -0.240 NA
ATOM     28  C   LIG    1        7.285  -1.560  -1.446  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1        8.289  -1.539  -0.498  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        7.971  -1.060   0.762  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        6.672  -0.618   1.014  0.00  0.00    +0.043 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  16  19
TORSDOF 3