REMARK  Name = BDB028191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.123   0.841  -1.607  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.739  -0.215  -0.638  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.163  -1.513  -0.909  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.818  -2.569  -0.057  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.035  -2.323   1.071  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -0.605  -1.022   1.352  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.984  -1.764  -2.104  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -3.371  -2.893  -2.386  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -3.282  -0.668  -2.875  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -3.852  -0.822  -3.701  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.975   0.034   0.507  0.00  0.00    +0.020 A 
ATOM     12  N   LIG    1       -2.863   0.607  -2.653  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.246  -0.763   2.500  0.00  0.00    +0.069 A 
ATOM     14  N   LIG    1        1.623  -0.828   2.501  0.00  0.00    -0.326 N 
ATOM     15  C   LIG    1        2.053  -0.503   3.759  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        1.050  -0.215   4.555  0.00  0.00    -0.243 NA
ATOM     17  C   LIG    1       -0.073  -0.366   3.784  0.00  0.00    +0.138 A 
BRANCH  14  18
ATOM     18  C   LIG    1        2.498  -1.228   1.406  0.00  0.00    +0.158 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.498  -0.240   0.264  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1        2.838   1.106   0.465  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        2.832   2.007  -0.602  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        2.496   1.572  -1.882  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        2.167   0.236  -2.099  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        2.173  -0.667  -1.034  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  14  18
ENDBRANCH   6  13
BRANCH   1  25
ATOM     25  C   LIG    1       -1.654   2.278  -1.393  0.00  0.00    +0.136 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -2.523   2.921  -0.406  0.00  0.00    -0.325 NA
ATOM     27  H   LIG    1       -2.276   3.908  -0.341  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1       -3.481   2.902  -0.763  0.00  0.00    +0.119 HD
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 5