REMARK  Name = BDB056506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.386   1.536  -0.120  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1        2.751   2.481  -0.121  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.008   1.405  -0.135  0.00  0.00    +0.217 C 
ATOM      4  O   LIG    1        0.371   0.357  -0.100  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        5.397  -1.430  -0.039  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        4.055  -1.817  -0.105  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        3.037  -0.856  -0.127  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        3.347   0.505  -0.096  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        4.694   0.889  -0.049  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        5.715  -0.069  -0.022  0.00  0.00    +0.015 A 
BRANCH   5  14
ATOM     11  N   LIG    1        7.655  -2.162   0.523  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        7.768  -1.371   1.140  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        8.294  -2.938   0.649  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        6.442  -2.487  -0.018  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1        6.225  -3.618  -0.433  0.00  0.00    -0.270 OA
ENDBRANCH   5  14
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1        0.314   2.760  -0.172  0.00  0.00    +0.096 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.207   2.650  -0.292  0.00  0.00    +0.017 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.869   2.107   0.980  0.00  0.00    +0.075 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.840   0.991   0.669  0.00  0.00    +0.110 A 
ATOM     20  N   LIG    1       -2.286  -0.192   0.258  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.275  -0.273   0.142  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1       -3.027  -1.295  -0.078  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1       -2.523  -2.342  -0.468  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -4.486  -1.139   0.056  0.00  0.00    +0.065 A 
ATOM     25  C   LIG    1       -4.965   0.102   0.486  0.00  0.00    +0.078 A 
ATOM     26  C   LIG    1       -6.344   0.274   0.618  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -7.224  -0.772   0.326  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.731  -2.005  -0.103  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.356  -2.193  -0.240  0.00  0.00    +0.015 A 
ATOM     30  N   LIG    1       -4.114   1.179   0.789  0.00  0.00    -0.234 NA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 6