REMARK  Name = BDB028452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.380  -2.014  -1.331  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        0.719  -2.579  -2.543  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        2.044  -2.882  -3.034  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -0.340  -2.849  -3.331  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -1.382  -2.403  -2.628  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -1.002  -1.885  -1.374  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -1.818  -1.295  -0.333  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -2.525  -0.111  -0.595  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.284   0.494   0.415  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.361  -0.114   1.667  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -4.198   0.496   2.713  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -4.871   1.638   2.358  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -5.451   2.076   3.067  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -4.794   2.273   1.159  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -4.289  -0.003   3.829  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.667  -1.301   1.931  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -4.034   1.763   0.232  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.892  -1.888   0.931  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -3.960   2.517  -1.096  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -5.103   2.132  -1.931  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -5.956   2.374  -1.422  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -5.127   1.122  -2.050  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  25
ATOM     23  C   LIG    1        2.573  -0.007   1.027  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1        1.631  -0.294   0.026  0.00  0.00    +0.102 A 
ATOM     25  C   LIG    1        1.352  -1.638  -0.297  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        2.004  -2.664   0.406  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        2.919  -2.367   1.416  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        3.197  -1.040   1.732  0.00  0.00    +0.047 A 
BRANCH  24  29
ATOM     29  C   LIG    1        0.979   0.786  -0.661  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        0.442   1.649  -1.226  0.00  0.00    -0.191 NA
ENDBRANCH  24  29
BRANCH  23  31
ATOM     31  O   LIG    1        2.799   1.303   1.365  0.00  0.00    -0.488 OA
BRANCH  31  33
ATOM     32  C   LIG    1        4.603   2.266   2.615  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        4.173   1.712   1.262  0.00  0.00    +0.167 C 
ATOM     34  C   LIG    1        4.255   2.792   0.188  0.00  0.00    +0.051 C 
ENDBRANCH  31  33
ENDBRANCH  23  31
ENDBRANCH   1  25
TORSDOF 7