REMARK  Name = BDB013844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.873   0.102  -0.272  0.00  0.00    -0.338 N 
ATOM      2  H   LIG    1        1.194  -0.668   0.326  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1        3.275   0.625  -0.406  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1        1.964   0.706  -0.917  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        1.812   1.558  -2.015  0.00  0.00    +0.134 A 
ATOM      6  N   LIG    1        2.809   2.238  -2.635  0.00  0.00    -0.261 NA
ATOM      7  C   LIG    1        4.043   2.109  -2.119  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1        4.324   1.331  -1.015  0.00  0.00    +0.036 A 
BRANCH   3  10
ATOM      9  O   LIG    1        4.693  -0.073   1.408  0.00  0.00    -0.245 OA
ATOM     10  C   LIG    1        3.659  -0.192   0.773  0.00  0.00    +0.339 C 
BRANCH  10  11
ATOM     11  O   LIG    1        2.777  -1.163   1.079  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1        3.182  -1.603   1.857  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  13
ATOM     13  C   LIG    1       -0.299  -0.273  -1.054  0.00  0.00    +0.137 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.219  -1.125  -0.202  0.00  0.00    -0.027 A 
ATOM     15  C   LIG    1       -2.076  -0.547   0.767  0.00  0.00    -0.040 A 
ATOM     16  C   LIG    1       -2.845  -1.424   1.558  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -2.794  -2.810   1.391  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -1.955  -3.361   0.432  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -1.167  -2.525  -0.354  0.00  0.00    +0.005 A 
BRANCH  15  20
ATOM     20  C   LIG    1       -2.141   0.951   1.000  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -2.815   1.840  -0.021  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -3.448   1.642   1.320  0.00  0.00    +0.009 C 
ENDBRANCH  15  20
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 6