REMARK  Name = BDB057890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.378   0.244   0.026  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        1.028   0.593  -0.045  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1        0.065  -0.413  -0.047  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.421  -1.728   0.020  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1        1.734  -2.037   0.088  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1        2.743  -1.097   0.094  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.387  -0.117  -0.121  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1       -1.740   1.198  -0.187  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1       -3.056   1.499  -0.255  0.00  0.00    +0.111 A 
ATOM     10  C   LIG    1       -4.064   0.554  -0.261  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.704  -0.784  -0.193  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -2.354  -1.124  -0.122  0.00  0.00    +0.030 A 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     13  O   LIG    1        3.155   2.522  -0.031  0.00  0.00    -0.245 OA
ATOM     14  C   LIG    1        3.386   1.329   0.026  0.00  0.00    +0.337 C 
BRANCH  14  15
ATOM     15  O   LIG    1        4.646   0.866   0.098  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1        5.193   1.680   0.089  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 3