REMARK  Name = BDB025594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.418   0.914   0.643  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1       -2.159   0.166   0.832  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -1.441  -0.140  -0.335  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1       -1.512   0.571  -1.341  0.00  0.00    -0.273 OA
ATOM      5  C   LIG    1       -1.351   0.899   1.821  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -2.139   2.176   2.159  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -3.052   2.360   0.951  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -5.686   1.461  -2.399  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1       -4.940   1.649  -1.179  0.00  0.00    -0.317 N 
ATOM     10  H   LIG    1       -4.597   2.583  -1.002  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1       -4.248   0.591  -0.625  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1       -4.354  -0.560  -1.052  0.00  0.00    -0.274 OA
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  O   LIG    1       -2.932   2.023   3.336  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -3.123   1.078   3.473  0.00  0.00    +0.210 HD
ENDBRANCH   6  13
BRANCH   3  15
ATOM     15  C   LIG    1       -0.519  -1.369  -0.287  0.00  0.00    +0.197 C 
BRANCH  15  16
ATOM     16  N   LIG    1        0.851  -0.913  -0.109  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        1.356  -0.679   1.117  0.00  0.00    -0.065 NA
ATOM     18  N   LIG    1        2.609  -0.276   0.964  0.00  0.00    -0.134 NA
ATOM     19  C   LIG    1        2.898  -0.266  -0.377  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1        1.784  -0.676  -1.076  0.00  0.00    +0.134 A 
BRANCH  19  21
ATOM     21  C   LIG    1        4.232   0.141  -0.887  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        5.389  -0.670  -0.304  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1        6.598   0.195  -0.620  0.00  0.00    +0.001 C 
ATOM     24  C   LIG    1        6.116   1.615  -0.353  0.00  0.00    +0.001 C 
ATOM     25  C   LIG    1        4.600   1.596  -0.568  0.00  0.00    +0.010 C 
ENDBRANCH  19  21
ENDBRANCH  15  16
BRANCH  15  26
ATOM     26  C   LIG    1       -0.943  -2.516   0.672  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1       -2.348  -3.041   0.347  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1        0.033  -3.703   0.597  0.00  0.00    +0.010 C 
ENDBRANCH  15  26
ENDBRANCH   3  15
TORSDOF 6