REMARK  Name = BDB028307
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.754  -0.984   0.029  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1        1.535  -0.255  -0.405  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        1.685   0.681  -1.423  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.582   1.399  -1.895  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.679   1.184  -1.336  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.853   0.256  -0.298  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        3.021   0.919  -1.991  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1        3.198   1.730  -2.893  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1        4.048   0.187  -1.447  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1        4.978   0.340  -1.825  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1        0.269  -0.459   0.162  0.00  0.00    +0.014 A 
ATOM     12  N   LIG    1        3.934  -0.751  -0.468  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -2.201   0.017   0.340  0.00  0.00    +0.047 C 
ATOM     14  C   LIG    1       -3.307  -0.432  -0.610  0.00  0.00    +0.168 C 
ATOM     15  O   LIG    1       -4.555  -0.037  -0.015  0.00  0.00    -0.379 OA
ATOM     16  C   LIG    1       -4.277   0.809   1.109  0.00  0.00    +0.160 C 
ATOM     17  C   LIG    1       -2.830   1.238   0.987  0.00  0.00    +0.038 C 
ENDBRANCH   6  13
BRANCH   1  18
ATOM     18  C   LIG    1        2.655  -2.058   1.109  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.567  -1.416   2.422  0.00  0.00    -0.325 NA
ATOM     20  H   LIG    1        3.399  -0.835   2.547  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1        2.632  -2.135   3.143  0.00  0.00    +0.119 HD
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 3