InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) AuxInfo=1/1/N:1,2,3,4,5,6,7/E:(6,7)/rA:16nCCCCNOOHHHHHHHHH/rB:s1;s1;s2;s3;s4;d4;s1;s1;s2;s2;s3;s3;s5;s5;s6;/rC:.4839,.2182,.0545;-1.0631,.3199,.0525;1.0205,-1.2295,.0571;-1.6087,1.6642,.0521;2.4862,-1.2242,.0746;-2.8194,1.8431,.0519;-.9176,2.6725,.052;.8727,.7331,.9382;.8743,.7307,-.8298;-1.446,-.2014,-.8296;-1.4477,-.201,.934;.6836,-1.7635,-.8341;.6673,-1.7668,.94;2.7954,-2.1962,.0168;2.7922,-.7585,-.7822;-3.3735,1.1595,.0521;