REMARK  Name = BDB065253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.405  -0.519   0.731  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -5.184  -1.286  -0.138  0.00  0.00    +0.161 A 
ATOM      3  C   LIG    1       -4.692  -1.684  -1.382  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -3.420  -1.326  -1.800  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -2.624  -0.539  -0.955  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -1.349  -0.202  -1.453  0.00  0.00    +0.131 A 
ATOM      7  N   LIG    1       -0.917  -0.635  -2.647  0.00  0.00    -0.203 NA
ATOM      8  C   LIG    1       -1.764  -1.391  -3.360  0.00  0.00    +0.234 A 
ATOM      9  N   LIG    1       -3.005  -1.749  -2.995  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1       -3.126  -0.149   0.316  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -4.169   0.505   2.873  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -4.974  -0.188   1.929  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   2  13
ATOM     13  O   LIG    1       -6.445  -1.656   0.246  0.00  0.00    -0.503 OA
ATOM     14  H   LIG    1       -6.855  -2.193  -0.450  0.00  0.00    +0.292 HD
ENDBRANCH   2  13
BRANCH   8  15
ATOM     15  C   LIG    1       -1.299  -1.854  -4.641  0.00  0.00    +0.140 C 
ATOM     16  N   LIG    1       -0.923  -2.227  -5.678  0.00  0.00    -0.188 NA
ENDBRANCH   8  15
BRANCH   6  17
ATOM     17  N   LIG    1       -0.500   0.612  -0.671  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1       -1.002   1.479  -0.486  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.856   0.875  -1.195  0.00  0.00    +0.074 C 
ATOM     20  C   LIG    1        1.735  -0.376  -1.041  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1        3.214  -0.013  -0.949  0.00  0.00    +0.086 C 
ATOM     22  N   LIG    1        3.535   0.885   0.167  0.00  0.00    -0.300 NA
ATOM     23  C   LIG    1        2.385   1.628   0.688  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1        1.461   2.076  -0.444  0.00  0.00    +0.037 C 
BRANCH  22  25
ATOM     25  C   LIG    1        4.415   0.278   1.182  0.00  0.00    +0.050 C 
ATOM     26  C   LIG    1        3.763  -0.843   2.001  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1        5.008   1.335   2.122  0.00  0.00    +0.024 C 
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 6