REMARK  Name = BDB000205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.964   1.876   1.296  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -0.446   1.637   1.383  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1        0.349   2.133   0.584  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.085   0.602   2.216  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1       -0.825   0.165   3.382  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -0.247  -1.216   3.686  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1        1.201  -1.097   3.196  0.00  0.00    +0.034 C 
ATOM      8  C   LIG    1       -2.326   0.198   3.158  0.00  0.00    +0.025 C 
ATOM      9  C   LIG    1        1.075  -0.228   1.944  0.00  0.00    +0.162 C 
ATOM     10  C   LIG    1       -2.709   1.571   2.600  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.542   1.243  -0.522  0.00  0.00    +0.230 C 
ATOM     12  N   LIG    1       -2.409   1.001   0.211  0.00  0.00    -0.303 N 
ATOM     13  H   LIG    1       -1.847   0.169   0.017  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1       -4.294   2.190  -0.295  0.00  0.00    -0.274 OA
BRANCH  11  16
ATOM     15  C   LIG    1       -2.728   0.253  -2.708  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -3.813   0.208  -1.638  0.00  0.00    +0.135 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -5.127   0.476  -2.260  0.00  0.00    -0.320 NA
ATOM     18  H   LIG    1       -5.105   1.434  -2.619  0.00  0.00    +0.119 HD
ATOM     19  H   LIG    1       -5.815   0.529  -1.505  0.00  0.00    +0.119 HD
ENDBRANCH  16  17
ENDBRANCH  11  16
ENDBRANCH   1  12
BRANCH   9  20
ATOM     20  C   LIG    1        0.779  -1.092   0.692  0.00  0.00    +0.234 C 
ATOM     21  N   LIG    1        1.892  -1.725   0.174  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        2.798  -1.347   0.426  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1       -0.349  -1.222   0.211  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  C   LIG    1        1.826  -2.413  -1.105  0.00  0.00    +0.109 C 
BRANCH  24  25
ATOM     25  C   LIG    1        1.768  -1.454  -2.301  0.00  0.00    +0.054 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.969  -0.539  -2.368  0.00  0.00    -0.046 A 
ATOM     27  C   LIG    1        2.881   0.779  -1.898  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        3.996   1.617  -1.929  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.208   1.146  -2.430  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.306  -0.162  -2.901  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.192  -1.003  -2.869  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   9  20
TORSDOF 7