* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/80/01/2008lsh082.mol"
Structure: 1
InChI=1/C10H12N2O2/c1-7(13)11-9-4-3-5-10(6-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)
AuxInfo=1/1/N:12,17,7,9,5,2,11,16,1,4,21,22,23,24/E:(1,2)(4,5)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:26nCCHCCHCHCHCCHHHCCHHHNNOOHH/rB:d1;s2;s2;d4;s5;s5;s7;s1d7;s9;;s11;s12;s12;s12;;s16;s17;s17;s17;s1s11;s4s16;d11;d16;s21;s22;/rC:-.9705,4.144,2.6704;.0501,3.435,2.0662;.124,2.4969,2.1967;.974,4.1103,1.2605;.8665,5.4818,1.0958;1.4957,5.9459,.5562;-.1561,6.1756,1.7164;-.2302,7.1146,1.5922;-1.0716,5.517,2.5158;-1.7621,6.0003,2.9541;-2.6525,2.375,3.0536;-3.6006,1.7856,4.0551;-4.4871,1.6896,3.6485;-3.661,2.3764,4.8347;-3.2732,.9058,4.3365;2.6176,2.2828,.8639;3.616,1.7551,-.1389;4.4707,1.585,.3094;3.7461,2.4171,-.8497;3.2791,.9208,-.5273;-1.9422,3.456,3.4655;1.9935,3.4357,.5336;-2.5402,1.8911,1.9131;2.4142,1.6724,1.9209;-2.0907,3.8097,4.2452;2.1974,3.7886,-.2563;