* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/52/01/06skc0079p21c.mol"
Structure: 1
InChI=1/C6H8NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H3,(H,8,9,10)
AuxInfo=1/1/N:4,7,2,9,6,1,11,15,16,17,18/E:(1,2)(3,4)(8,9,10)/CRV:7.4,11.6/rA:18nCCHCHCCHCHN4HHHOOOS/rB:s1;s2;d2;s4;s4;d6;s7;d1s7;s9;s6;s11;s11;s11;;;;s1d15s16d17;/rC:.644,5.3441,.8755;-.6223,5.9163,.7626;-1.1067,6.166,1.5398;-1.1681,6.1184,-.4998;-2.0245,6.5175,-.595;-.4462,5.7298,-1.6194;.8051,5.1531,-1.5223;1.28,4.8892,-2.3026;1.3574,4.9658,-.2556;2.2208,4.5801,-.1662;-1.0478,5.8947,-2.9529;-.3924,5.8888,-3.5845;-1.4954,6.6862,-2.9879;-1.6272,5.211,-3.1113;2.0796,6.3882,2.7653;.3142,4.832,3.3901;2.345,4.0324,2.3498;1.3998,5.1285,2.467;