REMARK  Name = BDB027920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.649  -0.127  -0.704  0.00  0.00    -0.333 N 
ATOM      2  H   LIG    1        0.349   0.444  -1.499  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.027  -0.592  -0.943  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        2.841   0.599  -1.476  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1        2.751   0.984  -2.642  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1        3.604   1.294  -0.570  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        4.065   2.120  -0.924  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        3.613   1.150   0.793  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        4.173   1.977   1.508  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        2.868  -0.032   1.361  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        2.690  -1.131   0.325  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  13
ATOM     12  C   LIG    1       -1.644  -0.488   0.085  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1       -0.406  -1.002  -0.402  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1       -0.295  -2.386  -0.650  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -1.349  -3.267  -0.420  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -2.553  -2.779   0.050  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -2.698  -1.413   0.291  0.00  0.00    +0.006 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -2.075   1.789  -0.937  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -1.895   1.019   0.388  0.00  0.00    -0.011 C 
ATOM     20  C   LIG    1       -0.752   1.658   1.212  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -3.182   1.274   1.221  0.00  0.00    +0.015 C 
ENDBRANCH  12  19
ENDBRANCH   1  13
TORSDOF 3