REMARK  Name = BDB028590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.052   0.613  -0.849  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.019  -0.295  -0.023  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.104  -0.652   0.766  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -3.370   0.062   0.580  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -4.512  -0.932   0.312  0.00  0.00    +0.010 C 
ATOM      6  C   LIG    1       -4.673  -1.909   1.500  0.00  0.00    +0.007 C 
ATOM      7  C   LIG    1       -3.436  -1.982   2.396  0.00  0.00    +0.019 C 
ATOM      8  C   LIG    1       -2.142  -1.854   1.602  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        0.104  -1.060   0.161  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1        0.271  -1.355   1.112  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.865  -0.280  -0.077  0.00  0.00    -0.002 C 
ATOM     12  C   LIG    1       -6.362   0.786   0.914  0.00  0.00    +0.032 C 
ATOM     13  C   LIG    1       -7.680   1.387   0.436  0.00  0.00    +0.160 C 
ATOM     14  O   LIG    1       -7.537   1.944  -0.869  0.00  0.00    -0.380 OA
ATOM     15  C   LIG    1       -7.172   0.962  -1.838  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1       -5.828   0.332  -1.489  0.00  0.00    +0.032 C 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1        1.327  -0.730  -0.555  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.386  -1.814  -0.345  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.738  -1.851   1.052  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        3.419  -1.152   1.147  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.671  -1.603  -1.174  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.454  -0.455  -0.664  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        5.893  -0.794  -0.607  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        6.771   0.374  -0.211  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.326   1.698  -0.371  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.167   2.764  -0.025  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.454   2.518   0.452  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.907   1.208   0.593  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.923   1.966  -0.854  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        8.072   0.141   0.260  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.287   0.737  -1.519  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6