* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/51/01/06skc0012p212121.mol"
Structure: 1
InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3,6,8H,1-2H2/q-2/t3-/m1/s1
AuxInfo=1/0/N:5,2,8,1,10,11,12,13,15/it:im/CRV:7-1.2,9-1.2/rA:16nCCHHCHHCHCNO2-OHO2-H/rB:s1;s2;s2;s2;s5;s5;s5;s8;s8;s1s8;d1;s10;s13;d10;s11;/rC:1.875,4.914,6.873;2.996,3.916,7.023;2.745,3.195,7.654;3.82,4.356,7.349;3.197,3.356,5.605;3.896,3.859,5.117;3.443,2.398,5.629;1.819,3.56,4.967;1.25,2.759,5.154;1.839,3.814,3.488;1.286,4.706,5.696;1.538,5.786,7.691;2.473,2.853,2.847;2.456,3.008,2.021;1.29,4.749,2.947;.463,5.093,5.386;