REMARK  Name = BDB028331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.088   0.341   0.899  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -2.444   0.116   0.617  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -3.057  -1.083   1.004  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.309  -2.054   1.663  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -2.951  -3.324   2.040  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.273  -3.459   1.694  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -4.732  -4.330   1.943  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.038  -2.525   1.068  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -2.330  -4.204   2.625  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -0.958  -1.836   1.958  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.487  -1.391   0.744  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.352  -0.637   1.580  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1        2.639   1.306  -1.581  0.00  0.00    +0.124 A 
ATOM     14  C   LIG    1        1.576   0.817  -0.912  0.00  0.00    +0.074 A 
ATOM     15  C   LIG    1        0.671   1.715  -0.268  0.00  0.00    +0.078 A 
ATOM     16  N   LIG    1        0.909   3.089  -0.412  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1       -0.041   3.820   0.224  0.00  0.00    -0.174 NA
ATOM     18  C   LIG    1       -0.862   2.916   0.759  0.00  0.00    +0.143 A 
ATOM     19  C   LIG    1        1.998   3.582  -1.135  0.00  0.00    +0.116 A 
ATOM     20  C   LIG    1       -0.467   1.587   0.503  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        2.861   2.735  -1.720  0.00  0.00    +0.065 A 
BRANCH  13  22
ATOM     22  O   LIG    1        3.529   0.503  -2.253  0.00  0.00    -0.489 OA
BRANCH  22  24
ATOM     23  C   LIG    1        4.480  -1.479  -1.287  0.00  0.00    +0.051 C 
ATOM     24  C   LIG    1        4.592   0.037  -1.405  0.00  0.00    +0.167 C 
ATOM     25  C   LIG    1        5.913   0.431  -2.056  0.00  0.00    +0.051 C 
ENDBRANCH  22  24
ENDBRANCH  13  22
ENDBRANCH   1  20
BRANCH  11  26
ATOM     26  C   LIG    1       -5.377  -0.356   0.061  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -5.100  -0.358  -1.376  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1       -5.768   0.256  -1.842  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1       -5.295  -1.294  -1.739  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH  11  26
TORSDOF 5