* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/74/01/2008lsh037.mol" Structure: 1 InChI=1/C11H13NO3/c1-3-15-11(14)9-5-4-6-10(7-9)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13) AuxInfo=1/1/N:20,12,17,7,5,9,2,11,4,1,16,24,25,26,27/rA:28nCCHCCHCHCHCCHHHCCHHCHHHNOOOH/rB:d1;s2;s2;d4;s5;s5;s7;s1d7;s9;;s11;s12;s12;s12;s4;;s17;s17;s17;s20;s20;s20;s1s11;d11;d16;s16s17;s24;/rC:.8378,4.304,2.8338;.9975,3.7902,1.5411;1.7528,4.0386,1.0212;.0504,2.9166,1.0182;-1.0693,2.5529,1.7694;-1.7232,1.9686,1.404;-1.2165,3.0531,3.0536;-1.9731,2.8027,3.5707;-.2677,3.9198,3.596;-.3731,4.2478,4.4813;1.7909,5.9614,4.4365;3.0086,6.8187,4.6706;2.7365,7.7562,4.7564;3.6243,6.7251,3.914;3.4566,6.5319,5.4937;.263,2.3462,-.3441;-.6253,.8122,-1.9396;.1866,.2477,-1.9877;-.5944,1.4758,-2.6736;-1.8724,-.0406,-2.0467;-1.89,-.6874,-1.3107;-1.8686,-.5189,-2.902;-2.6655,.5329,-1.9966;1.8336,5.189,3.3102;.8387,5.9877,5.2032;1.1956,2.6085,-1.0724;-.706,1.4779,-.6557;2.5125,5.2726,2.7722;