REMARK  Name = BDB052295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.859   0.636  -0.056  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1        2.647  -0.477  -0.127  0.00  0.00    -0.166 NA
ATOM      3  C   LIG    1        3.918  -0.032  -0.196  0.00  0.00    +0.105 A 
ATOM      4  C   LIG    1        3.904   1.406  -0.167  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        4.994   2.268  -0.218  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        6.205   1.554  -0.306  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        6.284   0.127  -0.339  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        5.147  -0.721  -0.286  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        2.599   1.798  -0.079  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -2.384   0.218   0.200  0.00  0.00    -0.028 A 
ATOM     11  C   LIG    1       -1.781   1.486   0.185  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -0.388   1.635   0.102  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        0.441   0.510   0.029  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -0.141  -0.762   0.039  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -1.530  -0.901   0.123  0.00  0.00    +0.007 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -3.913   0.000   0.299  0.00  0.00    +0.039 C 
ATOM     17  C   LIG    1       -4.205  -0.659   1.666  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1       -4.712   1.322   0.230  0.00  0.00    +0.032 C 
BRANCH  16  20
ATOM     19  C   LIG    1       -5.679  -1.344  -0.856  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -4.304  -0.875  -0.829  0.00  0.00    -0.310 NA
ATOM     21  H   LIG    1       -4.090  -0.395  -1.703  0.00  0.00    +0.122 HD
ENDBRANCH  16  20
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   8  22
ATOM     22  C   LIG    1        5.284  -2.186  -0.323  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1        6.384  -2.720  -0.401  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1        4.138  -2.924  -0.267  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        4.199  -3.931  -0.292  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        3.227  -2.475  -0.204  0.00  0.00    +0.145 HD
ENDBRANCH   8  22
TORSDOF 4