REMARK  Name = BDB028264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.390   0.441  -0.793  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.198   0.306   0.082  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.002   1.289   1.049  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.902   1.227   1.912  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.992   0.175   1.802  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -1.172  -0.814   0.827  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.966   2.395   1.156  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -3.829   3.281   1.992  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.014   2.370   0.270  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.690   3.126   0.329  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -2.283  -0.749  -0.028  0.00  0.00    +0.020 A 
ATOM     12  N   LIG    1       -5.236   1.427  -0.685  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -0.229  -1.919   0.711  0.00  0.00    +0.073 A 
ATOM     14  N   LIG    1        1.115  -1.807   0.387  0.00  0.00    -0.299 N 
ATOM     15  C   LIG    1        1.636  -3.100   0.392  0.00  0.00    +0.138 A 
ATOM     16  C   LIG    1        3.019  -3.248   0.095  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        3.763  -2.163  -0.190  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        3.193  -0.815  -0.207  0.00  0.00    -0.001 A 
ATOM     19  N   LIG    1        0.715  -3.995   0.673  0.00  0.00    -0.235 NA
ATOM     20  C   LIG    1        1.882  -0.679   0.082  0.00  0.00    +0.101 A 
ATOM     21  C   LIG    1       -0.435  -3.279   0.866  0.00  0.00    +0.139 A 
BRANCH  18  22
ATOM     22  C   LIG    1        3.978   0.385  -0.538  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        4.449   0.578  -1.843  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        5.197   1.713  -2.161  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.482   2.660  -1.179  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.021   2.473   0.124  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.273   1.339   0.445  0.00  0.00    +0.008 A 
ENDBRANCH  18  22
ENDBRANCH   6  13
BRANCH   1  28
ATOM     28  C   LIG    1       -4.631  -0.626  -1.865  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -5.850  -0.339  -2.631  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -5.763   0.610  -3.004  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -6.620  -0.252  -1.963  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 4