REMARK  Name = BDB021156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.085  -0.400   1.000  0.00  0.00    -0.219 N 
ATOM      2  C   LIG    1       -0.181  -0.277  -0.030  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1       -0.391  -0.388  -1.223  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        1.104   0.119   0.551  0.00  0.00    +0.091 A 
ATOM      5  C   LIG    1        0.870   0.369   1.889  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        1.860   0.815   2.742  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        3.132   0.991   2.199  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        3.379   0.732   0.833  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        2.355   0.295  -0.018  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1       -0.542   0.120   2.147  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -1.079   0.426   3.195  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -3.181  -1.237   2.070  0.00  0.00    +0.042 C 
ATOM     13  C   LIG    1       -2.537  -0.622   0.801  0.00  0.00    +0.119 C 
ATOM     14  C   LIG    1       -2.740  -1.693  -0.295  0.00  0.00    +0.243 C 
ATOM     15  O   LIG    1       -2.397  -2.867  -0.153  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -3.272  -1.271  -1.491  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -3.349  -1.986  -2.202  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -3.395   0.015  -1.952  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -3.698   0.242  -3.121  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -3.099   1.123  -0.972  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1       -3.302   0.670   0.463  0.00  0.00    +0.045 C 
ENDBRANCH   1  13
BRANCH   9  22
ATOM     22  O   LIG    1        2.481   0.002  -1.340  0.00  0.00    -0.480 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.660   0.381  -2.029  0.00  0.00    +0.349 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.866  -0.546  -1.874  0.00  0.00    +0.343 C 
ATOM     25  O   LIG    1        4.967  -1.448  -1.057  0.00  0.00    -0.247 OA
BRANCH  24  26
ATOM     26  O   LIG    1        5.875  -0.243  -2.730  0.00  0.00    -0.478 OA
ATOM     27  H   LIG    1        5.678   0.477  -3.359  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   9  22
TORSDOF 5