* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/97/01/06skc0081p21n.mol" Structure: 1 InChI=1/C4H7NO.C4H4O4/c6-4-2-1-3-5-4;5-3(6)1-2-4(7)8/h5H,1-3H2;1-2,5,7H/q-1;-2/b;2-1+ AuxInfo=1/0/N:17,14,20,13,23,25;2,8,1,7,5,4,11,10/E:;(1,2)(3,4)(5,7)(6,8)/CRV:6-1.2;6-1.2,8-1.2/rA:25nCCHO2-OHCCHO2-OHCCHHCHHCHHNHO2-/rB:s1;s2;d1;s1;s5;;d2s7;s8;d7;s7;s11;;s13;s14;s14;s14;s17;s17;s17;s20;s20;s13s20;s23;d13;/rC:4.028,.614,.33;5.248,-.242,.219;5.2,-1.156,.472;3.927,1.721,-.174;3.087,.02,1.021;2.385,.481,.993;7.601,-.614,-.33;6.38,.242,-.219;6.429,1.156,-.472;7.702,-1.721,.174;8.542,-.02,-1.021;9.244,-.481,-.993;7.623,1.522,-4.272;7.471,2.577,-3.219;7.86,3.437,-3.518;7.906,2.302,-2.374;5.946,2.688,-3.046;5.707,2.82,-2.095;5.583,3.442,-3.577;5.412,1.345,-3.565;5.267,.707,-2.822;4.563,1.466,-4.06;6.477,.89,-4.45;6.367,.253,-5.047;8.681,1.251,-4.888;