REMARK  Name = BDB018441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.783  -1.568  -0.421  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -0.387  -1.847  -0.051  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.024  -3.131  -0.064  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.813  -4.182  -0.397  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.279  -5.535  -0.358  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -2.147  -3.989  -0.730  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -2.941  -4.881  -1.016  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.611  -2.580  -0.739  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1       -3.747   1.567   0.361  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1       -3.238   0.273   0.460  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -2.359  -0.213  -0.513  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -2.032   0.638  -1.565  0.00  0.00    +0.119 A 
ATOM     13  N   LIG    1       -2.512   1.895  -1.702  0.00  0.00    -0.259 NA
ATOM     14  C   LIG    1       -3.355   2.330  -0.732  0.00  0.00    +0.156 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -5.062   3.285   1.333  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -4.588   1.944   1.368  0.00  0.00    -0.494 OA
ENDBRANCH   9  16
ENDBRANCH   1  11
BRANCH   2  17
ATOM     17  C   LIG    1        0.514  -0.799   0.322  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        1.731  -0.521  -0.260  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1        2.261   0.576   0.399  0.00  0.00    -0.238 N 
ATOM     20  N   LIG    1        1.438   0.975   1.393  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1        0.386   0.160   1.336  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.494   1.250   0.135  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1        3.937   2.347   0.908  0.00  0.00    +0.077 A 
ATOM     24  C   LIG    1        5.162   2.965   0.585  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        5.942   2.516  -0.478  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.508   1.439  -1.239  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.297   0.810  -0.939  0.00  0.00    +0.029 A 
BRANCH  23  28
ATOM     28  C   LIG    1        3.239   2.909   2.035  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1        2.771   3.439   2.958  0.00  0.00    -0.191 NA
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 5