REMARK  Name = BDB021139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.195   0.460   0.377  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -0.814   0.582   0.488  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        0.243  -0.411   0.278  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1        1.435   0.209   0.542  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1        1.254   1.537   0.810  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        2.088   2.402   0.998  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        0.051  -1.558  -0.085  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -0.186   1.776   0.804  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -0.891   2.937   1.044  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.280   2.854   0.968  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -2.919   1.632   0.651  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        2.721  -0.425   0.299  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        3.249   0.005  -1.073  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        2.535   0.422  -1.984  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        4.602  -0.165  -1.271  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        4.952   0.106  -2.180  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        5.551  -0.519  -0.345  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        6.740  -0.571  -0.645  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        5.048  -0.898   1.029  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        3.768  -0.151   1.375  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1       -2.788  -0.776   0.134  0.00  0.00    -0.341 N 
ATOM     22  H   LIG    1       -2.106  -1.462  -0.211  0.00  0.00    +0.146 HD
BRANCH  21  24
ATOM     23  C   LIG    1       -3.974  -0.554  -2.008  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -4.091  -0.895  -0.523  0.00  0.00    +0.064 C 
ATOM     25  C   LIG    1       -4.583  -2.332  -0.349  0.00  0.00    +0.027 C 
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 3