* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/95/01/2008lsh071.mol"
Structure: 1
InChI=1/C10H11NO3/c1-7(12)11-9-5-3-8(4-6-9)10(13)14-2/h3-6H,1-2H3,(H,11,12)
AuxInfo=1/1/N:12,17,4,7,2,9,11,6,1,16,21,22,23,24/E:(3,4)(5,6)/rA:25nCCHCHCCHCHCCHHHCCHHHNOOOH/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;;s11;s12;s12;s12;s6;;s17;s17;s17;s1s11;d11;d16;s16s17;s21;/rC:14.8225,3.0788,1.1067;15.9101,2.2821,.7463;16.7384,2.6822,.5085;15.7726,.8974,.7377;16.5154,.355,.4998;14.5639,.2951,1.0723;13.4814,1.1004,1.4187;12.6504,.6996,1.6451;13.6045,2.476,1.4362;12.8587,3.0147,1.673;15.8518,5.3364,.7731;15.5578,6.7963,1.0201;16.2737,7.3435,.6347;15.5048,6.9602,1.9849;14.7041,7.033,.6011;14.3753,-1.1775,1.0934;15.4036,-3.3029,.9151;15.2446,-3.5975,1.8362;16.2377,-3.6979,.5853;14.6588,-3.5907,.3469;14.8667,4.4857,1.1921;16.8817,4.959,.2376;13.2993,-1.7154,1.284;15.5073,-1.8514,.881;14.1339,4.8465,1.4902;