REMARK  Name = BDB043993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.044  -2.065   1.363  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1       -1.716  -0.756   0.826  0.00  0.00    -0.339 N 
ATOM      3  C   LIG    1       -2.575   0.061   0.115  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -3.898  -0.286  -0.422  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -4.999   0.592  -0.333  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -4.968   1.935   0.323  0.00  0.00    +0.245 C 
ATOM      7  N   LIG    1       -3.855   2.735   0.267  0.00  0.00    -0.307 N 
ATOM      8  H   LIG    1       -3.971   3.623   0.736  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -2.650   2.514  -0.497  0.00  0.00    +0.142 C 
ATOM     10  O   LIG    1       -5.972   2.356   0.896  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -6.245   0.200  -0.858  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -6.396  -1.024  -1.508  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.302  -1.871  -1.643  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.064  -1.502  -1.111  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -1.986   1.312   0.059  0.00  0.00    -0.004 A 
ATOM     16  C   LIG    1       -0.687   1.197   0.610  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1       -0.498  -0.113   1.033  0.00  0.00    +0.105 A 
ENDROOT
BRANCH  17  18
ATOM     18  C   LIG    1        0.682  -0.743   1.614  0.00  0.00    +0.261 C 
ATOM     19  N   LIG    1        1.781   0.080   1.743  0.00  0.00    -0.309 N 
ATOM     20  H   LIG    1        1.801   0.912   1.172  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1        0.725  -1.924   1.950  0.00  0.00    -0.269 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.089  -0.461   2.068  0.00  0.00    +0.120 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.834  -0.923   0.801  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.943   0.161  -0.206  0.00  0.00    -0.301 NA
ATOM     25  C   LIG    1        4.358  -0.373  -1.515  0.00  0.00    +0.084 C 
ATOM     26  C   LIG    1        5.872  -0.487  -1.457  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1        6.302   0.541  -0.420  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1        5.005   1.125   0.126  0.00  0.00    +0.084 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  17  18
TORSDOF 4