* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/47/01/2008lsh032.mol" Structure: 1 InChI=1/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12) AuxInfo=1/1/N:19,12,16,2,9,4,7,11,1,6,23,24,25/E:(4,5)(6,7)/rA:26nCCHCHCCHCHCCHHHCHHCHHHNOOH/rB:s1;s2;d2;s4;s4;d6;s7;d1s7;s9;;s11;s12;s12;s12;;s16;s16;s16;s19;s19;s19;s1s11;d11;s6s16;s23;/rC:2.1717,4.0484,-.5879;2.2789,3.1256,.4427;1.544,2.5595,.6472;3.4595,3.0232,1.1813;3.5253,2.3915,1.8878;4.5372,3.8459,.8816;4.4416,4.7595,-.1634;5.1838,5.3107,-.3823;3.2651,4.8645,-.8837;3.2005,5.4992,-1.5876;.0447,3.3103,-1.624;-1.1009,3.7896,-2.4781;-1.2116,3.1879,-3.2437;-.9118,4.6958,-2.7996;-1.9241,3.7967,-1.9464;5.8593,3.0121,2.7102;5.8244,2.0545,2.4615;5.1184,3.2021,3.3388;7.1895,3.3416,3.3498;7.9161,3.0114,2.7812;7.2435,2.9141,4.23;7.2708,4.3128,3.4528;.9893,4.2374,-1.3541;.0954,2.1508,-1.2054;5.7457,3.835,1.5423;.8906,5.0598,-1.7314;