REMARK  Name = BDB028434
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.594  -3.573   1.595  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.349  -2.862   1.787  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -0.988  -1.645   1.248  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.307  -1.429   1.698  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.613  -2.549   2.495  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -0.399  -3.413   2.567  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.119  -0.279   1.369  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.205  -0.418   0.491  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.990   0.694   0.161  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.704   1.928   0.744  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.574   3.080   0.457  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        4.652   2.833  -0.354  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        5.261   3.616  -0.570  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        4.934   1.657  -0.976  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        3.348   4.184   0.938  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        1.621   2.072   1.620  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        4.142   0.639  -0.776  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        0.826   0.969   1.927  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        4.458  -0.673  -1.505  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        5.119  -0.387  -2.784  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        5.788   0.371  -2.626  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        5.654  -1.199  -3.082  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1       -1.845  -0.844   0.373  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -1.624  -0.747  -1.010  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -2.473   0.043  -1.799  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -3.534   0.746  -1.251  0.00  0.00    +0.072 A 
ATOM     27  C   LIG    1       -3.754   0.656   0.139  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.826   1.376   0.682  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1       -5.633   2.145  -0.148  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -5.339   2.166  -1.498  0.00  0.00    +0.111 A 
ATOM     31  N   LIG    1       -4.314   1.484  -2.056  0.00  0.00    -0.255 NA
ATOM     32  C   LIG    1       -2.912  -0.134   0.940  0.00  0.00    +0.021 A 
BRANCH  24  33
ATOM     33  C   LIG    1       -0.547  -1.448  -1.651  0.00  0.00    +0.100 C 
ATOM     34  N   LIG    1        0.328  -2.012  -2.163  0.00  0.00    -0.191 NA
ENDBRANCH  24  33
ENDBRANCH   3  23
TORSDOF 5