REMARK  Name = BDB057442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.582   0.579   0.660  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1       -0.012   1.384   1.651  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.399   1.556   1.544  0.00  0.00    +0.107 A 
ATOM      4  C   LIG    1       -2.001   2.359   2.513  0.00  0.00    +0.152 A 
ATOM      5  C   LIG    1       -1.318   2.972   3.573  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        0.049   2.781   3.677  0.00  0.00    +0.003 A 
ATOM      7  N   LIG    1       -2.110   0.971   0.566  0.00  0.00    -0.225 NA
ATOM      8  C   LIG    1       -1.462   0.202  -0.324  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.698   1.994   2.726  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.141   0.003  -0.313  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.252  -0.449  -1.387  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1       -3.624  -0.179  -1.557  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -4.372  -0.797  -2.565  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.763  -1.702  -3.429  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -2.409  -1.991  -3.285  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -1.665  -1.371  -2.276  0.00  0.00    +0.011 A 
ENDBRANCH   8  11
BRANCH   4  17
ATOM     17  N   LIG    1       -3.424   2.579   2.430  0.00  0.00    +0.059 N 
ATOM     18  O   LIG    1       -3.821   3.408   1.599  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1       -4.131   1.980   3.252  0.00  0.00    -0.126 OA
ENDBRANCH   4  17
BRANCH   1  20
ATOM     20  N   LIG    1        1.989   0.396   0.671  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1        2.448   1.297   0.673  0.00  0.00    +0.155 HD
BRANCH  20  27
ATOM     22  C   LIG    1        5.651  -2.283  -1.303  0.00  0.00    +0.065 C 
ATOM     23  C   LIG    1        4.392  -1.763  -0.731  0.00  0.00    +0.035 A 
ATOM     24  N   LIG    1        3.288  -2.548  -0.552  0.00  0.00    -0.280 N 
ATOM     25  H   LIG    1        3.173  -3.532  -0.770  0.00  0.00    +0.189 HD
ATOM     26  N   LIG    1        2.252  -1.901  -0.004  0.00  0.00    -0.158 NA
ATOM     27  C   LIG    1        2.674  -0.644   0.141  0.00  0.00    +0.146 A 
ATOM     28  C   LIG    1        4.022  -0.516  -0.279  0.00  0.00    +0.068 A 
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 4