REMARK  Name = BDB052981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.400  -1.632   0.954  0.00  0.00    -0.223 N 
ATOM      2  C   LIG    1        0.210  -2.921   0.481  0.00  0.00    +0.275 A 
ATOM      3  O   LIG    1        1.055  -3.812   0.537  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1       -1.101  -3.208  -0.122  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.068  -2.210  -0.190  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -3.307  -2.504  -0.783  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.564  -3.783  -1.290  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.593  -4.776  -1.213  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.726  -0.870   0.375  0.00  0.00    +0.152 A 
ATOM     10  C   LIG    1       -1.361  -4.491  -0.631  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1       -0.549  -0.644   0.901  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -2.674   0.152   0.346  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1       -3.582  -0.077  -0.035  0.00  0.00    +0.155 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -2.541   1.429   0.791  0.00  0.00    +0.120 A 
ATOM     15  N   LIG    1       -1.376   1.907   1.329  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1       -0.513   1.383   1.450  0.00  0.00    +0.190 HD
ATOM     17  N   LIG    1       -1.446   3.192   1.722  0.00  0.00    -0.178 NA
ATOM     18  C   LIG    1       -2.696   3.552   1.409  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1       -3.165   4.930   1.688  0.00  0.00    +0.067 C 
ATOM     20  C   LIG    1       -3.421   2.484   0.825  0.00  0.00    +0.068 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   1  21
ATOM     21  C   LIG    1        1.697  -1.256   1.512  0.00  0.00    +0.182 C 
BRANCH  21  24
ATOM     22  C   LIG    1        3.496   1.317  -0.671  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        2.667   0.744   0.298  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1        2.610  -0.647   0.473  0.00  0.00    -0.023 A 
ATOM     25  C   LIG    1        3.393  -1.463  -0.353  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        4.222  -0.897  -1.321  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.276   0.491  -1.479  0.00  0.00    +0.045 A 
BRANCH  22  29
ATOM     28  C   LIG    1        4.258   3.316  -1.707  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        3.452   2.684  -0.723  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 5