REMARK  Name = BDB048912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.133   1.195  -2.255  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1        0.708   0.622  -1.148  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        0.127   0.005  -0.026  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.994  -0.510   0.956  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1        2.373  -0.442   0.790  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1        2.826   0.266  -0.325  0.00  0.00    +0.234 A 
ATOM      7  N   LIG    1        2.049   0.765  -1.300  0.00  0.00    -0.216 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.322  -0.114   0.157  0.00  0.00    -0.013 A 
ATOM      9  C   LIG    1       -2.037   0.858   0.864  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -3.405   0.700   1.015  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -4.098  -0.347   0.520  0.00  0.00    -0.263 NA
ATOM     12  C   LIG    1       -3.393  -1.276  -0.158  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -2.024  -1.206  -0.362  0.00  0.00    +0.028 A 
ENDBRANCH   3   8
BRANCH   5  14
ATOM     14  N   LIG    1        3.253  -0.887   1.798  0.00  0.00    -0.354 N 
ATOM     15  H   LIG    1        2.817  -1.556   2.428  0.00  0.00    +0.142 HD
ATOM     16  H   LIG    1        4.107  -1.282   1.407  0.00  0.00    +0.142 HD
ENDBRANCH   5  14
BRANCH   6  17
ATOM     17  O   LIG    1        4.163   0.541  -0.441  0.00  0.00    -0.491 OA
ATOM     18  H   LIG    1        4.473   0.553   0.480  0.00  0.00    +0.294 HD
ENDBRANCH   6  17
TORSDOF 3