REMARK  Name = BDB007277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.113   0.137  -0.336  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -1.899   0.631   0.161  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -0.730  -0.111   0.003  0.00  0.00    +0.125 A 
ATOM      4  N   LIG    1       -0.723  -1.301  -0.617  0.00  0.00    -0.240 NA
ATOM      5  C   LIG    1       -1.897  -1.774  -1.090  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1       -3.099  -1.102  -0.977  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.451   0.442   0.583  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1       -4.361   0.908  -0.192  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -4.477   2.150  -0.848  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -5.640   2.911  -0.742  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -6.695   2.434   0.020  0.00  0.00    +0.127 A 
ATOM     12  F   LIG    1       -7.814   3.163   0.122  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -6.614   1.213   0.681  0.00  0.00    +0.084 A 
BRANCH   7  15
ATOM     14  C   LIG    1       -6.325  -1.239   2.044  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -5.276  -0.769   1.207  0.00  0.00    -0.494 OA
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  N   LIG    1        0.443   0.434   0.531  0.00  0.00    -0.270 N 
ATOM     17  H   LIG    1        0.352   1.297   1.048  0.00  0.00    +0.156 HD
ATOM     18  C   LIG    1        1.723  -0.032   0.540  0.00  0.00    +0.221 C 
ATOM     19  O   LIG    1        2.544   0.638   1.181  0.00  0.00    -0.275 OA
BRANCH  18  20
ATOM     20  C   LIG    1        2.139  -1.298  -0.221  0.00  0.00    +0.077 C 
ATOM     21  C   LIG    1        3.521  -1.812   0.226  0.00  0.00    +0.035 C 
ATOM     22  C   LIG    1        4.716  -0.981  -0.276  0.00  0.00    +0.074 C 
ATOM     23  C   LIG    1        4.453  -0.304  -1.629  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1        3.429  -1.074  -2.446  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1        2.070  -1.092  -1.748  0.00  0.00    +0.013 C 
BRANCH  22  26
ATOM     26  N   LIG    1        5.108   0.006   0.718  0.00  0.00    -0.313 N 
ATOM     27  H   LIG    1        4.342   0.510   1.168  0.00  0.00    +0.149 HD
ATOM     28  C   LIG    1        6.360   0.572   0.740  0.00  0.00    +0.210 C 
ATOM     29  O   LIG    1        7.282   0.227   0.009  0.00  0.00    -0.276 OA
ATOM     30  C   LIG    1        6.510   1.682   1.746  0.00  0.00    +0.109 C 
ENDBRANCH  22  26
ENDBRANCH  18  20
ENDBRANCH   3  16
TORSDOF 5