* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/92/01/06skc0076p21c.mol"
Structure: 1
InChI=1/C6H7NO3S.Na.H/c7-5-3-1-2-4-6(5)11(8,9)10;;/h1-4H,7H2,(H,8,9,10);;
AuxInfo=1/1/N:6,8,4,10,3,2,12,15,16,17,18;1;19/E:(8,9,10);;/CRV:11.6;;/rA:18nNaCCCHCHCHCHNHHOOOS/rB:;d2;s3;s4;d4;s6;s6;s8;s2d8;s10;s3;s12;s12;;;;s2s15d16d17;/rC:7.6098,-.0822,1.5074;9.8536,.0098,4.4163;10.2088,-.8393,3.3525;11.5384,-.8118,2.9092;11.8012,-1.3616,2.1805;12.4667,.0015,3.5161;13.362,.0113,3.1957;12.1155,.8093,4.5934;12.7694,1.3473,5.022;10.8063,.8226,5.0311;10.5543,1.3857,5.753;9.2587,-1.6191,2.7186;9.4845,-2.1104,2.0237;8.4291,-1.6245,3.0096;8.1569,.9555,6.0992;7.4913,.8132,3.7608;7.6431,-1.2021,5.0973;8.1583,.1507,4.8894;