REMARK  Name = BDB032683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.516   0.902  -2.761  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        1.383   0.211  -1.903  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.377   0.936  -1.272  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        3.407   0.476  -0.334  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        4.202   1.571  -0.040  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.670   2.799  -0.613  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        3.492  -0.654   0.102  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.534   2.309  -1.446  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        1.679   3.010  -2.276  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.667   2.299  -2.932  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.250   1.607   0.974  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        4.640   1.491   2.371  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        3.854   2.330   2.814  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        4.969   0.384   3.110  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        4.555   0.328   4.029  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        5.731  -0.693   2.743  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        5.945  -1.605   3.539  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        6.268  -0.718   1.335  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.433   0.669   0.741  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -0.602   0.169  -3.459  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.798   0.292  -2.682  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1       -3.269  -0.493  -1.243  0.00  0.00    -0.248 N 
ATOM     23  H   LIG    1       -3.628   0.443  -1.390  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1       -2.135  -0.793  -1.937  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1       -1.506  -1.839  -1.921  0.00  0.00    -0.226 OA
BRANCH  22  27
ATOM     26  C   LIG    1       -5.140  -0.706   0.249  0.00  0.00    +0.142 A 
ATOM     27  C   LIG    1       -3.998  -1.289  -0.338  0.00  0.00    +0.080 A 
ATOM     28  C   LIG    1       -3.645  -2.599  -0.009  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -4.420  -3.329   0.897  0.00  0.00    +0.046 A 
ATOM     30 CL   LIG    1       -3.930  -4.947   1.260  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1       -5.558  -2.763   1.490  0.00  0.00    -0.029 A 
ATOM     32  C   LIG    1       -6.405  -3.529   2.468  0.00  0.00    +0.045 C 
ATOM     33  C   LIG    1       -5.909  -1.444   1.155  0.00  0.00    +0.052 A 
BRANCH  26  35
ATOM     34  C   LIG    1       -6.529   1.227   0.457  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -5.407   0.587  -0.139  0.00  0.00    -0.493 OA
ENDBRANCH  26  35
ENDBRANCH  22  27
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6