* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/07/13/01/2009src0584p21c.mol"
Structure: 1
InChI=1/C12H16N2O2/c1-8(2)9(3)13-14-11-6-4-10(5-7-11)12(15)16/h4-8,14H,1-3H3,(H,15,16)/b13-9+
AuxInfo=1/1/N:19,23,13,3,10,5,8,17,12,2,7,1,28,27,29,30/E:(1,2)(4,5)(6,7)(15,16)/rA:32nCCCHCHCCHCHCCHHHCHCHHHCHHHNNOOHH/rB:s1;d2;s3;s3;s5;d5;s7;s8;s2d8;s10;;s12;s13;s13;s13;s12;s17;s17;s19;s19;s19;s17;s23;s23;s23;s7;d12s27;d1;s1;s30;s27;/rC:-1.7077,3.356,5.3804;-2.4985,2.3469,4.6709;-1.9069,1.6412,3.6214;-1.0004,1.8136,3.396;-2.6146,.6981,2.907;-2.1982,.2289,2.1926;-3.945,.4359,3.2371;-4.5593,1.1297,4.2779;-5.4675,.9597,4.4984;-3.8308,2.07,4.9874;-4.2461,2.5359,5.7043;-6.4777,-1.7632,2.1199;-5.8565,-2.4086,.909;-5.726,-1.7338,.2106;-6.4498,-3.1143,.5752;-4.9901,-2.7975,1.1542;-7.8655,-2.193,2.519;-7.8784,-3.1931,2.5227;-8.2688,-1.7319,3.9109;-9.1571,-2.0861,4.1277;-8.2933,-.7522,3.9367;-7.6176,-2.0596,4.5662;-8.8802,-1.7286,1.4707;-8.9041,-.7494,1.451;-9.7678,-2.0733,1.7011;-8.6165,-2.0667,.59;-4.6335,-.4986,2.4623;-5.9057,-.861,2.8368;-.5334,3.5939,5.0824;-2.3328,3.9899,6.3646;-1.83,4.5854,6.6774;-4.1206,-.983,1.8969;