REMARK  Name = BDB055831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.081   2.426  -0.125  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.228   2.164  -0.535  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        0.668   0.841  -0.716  0.00  0.00    -0.011 A 
ATOM      4  C   LIG    1       -0.234  -0.214  -0.496  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -1.545   0.039  -0.081  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -1.958   1.362   0.104  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.447  -1.065   0.175  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.696  -1.217  -0.388  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -4.514  -0.440  -1.339  0.00  0.00    +0.090 C 
ATOM     10  O   LIG    1       -4.253  -2.373   0.066  0.00  0.00    -0.359 OA
ATOM     11  N   LIG    1       -3.376  -3.007   0.925  0.00  0.00    -0.083 NA
ATOM     12  C   LIG    1       -2.294  -2.221   0.988  0.00  0.00    +0.088 A 
ATOM     13  C   LIG    1       -1.146  -2.609   1.841  0.00  0.00    +0.070 C 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     14  C   LIG    1       -0.772   4.787  -0.102  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -1.623   3.664   0.090  0.00  0.00    -0.495 OA
ENDBRANCH   1  15
BRANCH   3  16
ATOM     16  C   LIG    1        2.094   0.557  -1.159  0.00  0.00    +0.175 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.858  -0.343  -0.202  0.00  0.00    -0.015 A 
ATOM     18  C   LIG    1        3.168   0.118   1.090  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        3.854  -0.695   1.995  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.244  -1.978   1.622  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.950  -2.450   0.345  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.262  -1.639  -0.560  0.00  0.00    +0.006 A 
ENDBRANCH  16  17
BRANCH  16  23
ATOM     23  O   LIG    1        2.069   0.017  -2.482  0.00  0.00    -0.383 OA
ATOM     24  H   LIG    1        1.235   0.296  -2.895  0.00  0.00    +0.211 HD
ENDBRANCH  16  23
ENDBRANCH   3  16
TORSDOF 5