REMARK  Name = BDB027901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.379  -0.643  -0.530  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        0.845   0.034  -0.365  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        2.092  -0.626  -0.368  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1        2.083  -2.011  -0.583  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        0.889  -2.701  -0.783  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.329  -2.018  -0.768  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.366   0.098  -0.170  0.00  0.00    +0.071 A 
ATOM      8  N   LIG    1        4.442  -0.409  -0.827  0.00  0.00    -0.255 NA
ATOM      9  C   LIG    1        5.630   0.218  -0.680  0.00  0.00    +0.111 A 
ATOM     10  C   LIG    1        5.816   1.341   0.104  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        4.718   1.850   0.783  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        3.480   1.224   0.648  0.00  0.00    +0.028 A 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     13  N   LIG    1       -1.549   0.123  -0.576  0.00  0.00    -0.333 N 
ATOM     14  H   LIG    1       -1.463   0.945   0.015  0.00  0.00    +0.147 HD
BRANCH  13  21
ATOM     15  O   LIG    1       -4.996   1.594   2.322  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -4.303   1.036   1.476  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -3.657  -0.138   1.758  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -3.889  -0.534   2.659  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.228  -1.056   0.829  0.00  0.00    +0.239 C 
ATOM     20  O   LIG    1       -3.146  -2.248   1.121  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.881  -0.503  -0.557  0.00  0.00    +0.158 C 
ATOM     22  C   LIG    1       -3.941   0.527  -0.954  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -4.096   1.616   0.098  0.00  0.00    +0.098 C 
ENDBRANCH  13  21
ENDBRANCH   1  13
TORSDOF 3