* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/03/74/01/2007may0016.mol"
Structure: 1
InChI=1/C6H8NOS/c1-4-2-5(6(7)8)9-3-4/h2-3,5H,1H3,(H2,7,8)
AuxInfo=1/1/N:5,15,7,10,13,9,12,3,6/CRV:9.3/rA:16nHHOHCS3CHCCHNCHCH/rB:;;;s1s2;;s4d6;;d3;s5s7;;s8s9s11;s6s9;;d10s13s14;s5;/rC:-3.8323,-.4789,-.4243;-3.0164,-1.8541,-.3569;2.2522,-1.4434,-.132;-2.5046,1.7246,-.0688;-3.1413,-.9764,.0609;-.1366,1.7123,-.0902;-1.749,1.1492,-.0488;3.6299,.4701,.1571;1.9107,-.2501,.0046;-1.8417,-.2074,.0157;2.6302,1.5798,.1533;2.7944,.7277,.154;.4668,.0923,.0007;-.4202,-1.7438,.0692;-.5555,-.804,.0352;-3.4183,-1.0952,.9935;