* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/03/75/01/2007may0017.mol" Structure: 1 InChI=1/C9H10O3/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-3,10H,4-6H2 AuxInfo=1/0/N:13,10,16,19,4,6,8,17,14,20,18,9/rA:22nHHHCHCHCOCHHCCHCCOCOHH/rB:;;s1;s4;s2s3;;s6;s4;s7d8;;;s10s11;s8s9;;d13s15;d14s16;s17;s4s12s18;s6;s20;s19;/rC:-2.0059,1.4885,-1.4335;2.0283,1.6656,-1.138;3.2006,.7001,-.6343;-1.8358,1.6987,-.4811;-2.1103,2.6361,-.3205;2.3211,1.0846,-.3919;2.6796,-1.5712,-.184;1.3238,-.0358,-.2186;-.4207,1.5557,-.2009;1.753,-1.3678,-.1354;1.1206,-3.2926,.0664;-3.5946,.9301,.1577;.8252,-2.3911,.018;-.03,.2339,-.1055;-1.1494,-2.8116,.1847;-.5184,-2.1065,.1002;-.9508,-.7896,.0596;-2.2999,-.568,.1909;-2.6355,.8028,.3676;2.4681,1.8832,.797;2.7407,1.2867,1.3187;-2.498,1.0492,1.3166;