* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/03/68/01/2007may0006.mol"
Structure: 1
InChI=1/C10H9NO2/c1-11-5-4-7-2-3-8(10(12)13)6-9(7)11/h2-6H,1H3,(H,12,13)
AuxInfo=1/1/N:11,15,16,9,8,21,17,18,20,10,14,6,7/E:(12,13)/rA:22nHHHHHOOCCCCHHNCCCCHCCH/rB:;;;;;s3;s4;s5d8;d6s7;s1s2;;;s8s11;s13;s12d15;s9s15;s10s16;;s14d17;d18s19s20;s11;/rC:-1.7496,2.8122,-.5534;-3.2925,2.5651,-.2075;4.5516,-.1651,-.0655;-4.0779,.1589,-.0867;-3.0786,-2.1021,-.0814;3.0058,1.6679,-.0665;3.7378,-.4436,.0076;-3.1471,-.0284,-.0553;-2.6032,-1.2802,-.0512;2.7957,.4173,-.0142;-2.3708,2.3614,.0561;1.9332,-2.0739,.0274;-.2337,-2.9463,.0476;-2.1546,.9232,-.0071;-.0934,-2.0069,.0293;1.188,-1.4846,.0241;-1.1804,-1.1218,.0069;1.4046,-.093,.014;.504,1.7487,.0384;-.9358,.2781,.0278;.3534,.8107,.0285;-2.2159,2.6752,.9714;