* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/03/64/01/2007may0001.mol"
Structure: 1
InChI=1/C11H12N2O/c1-13-10(8-14)7-11(12-13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3
AuxInfo=1/0/N:19,10,8,12,6,14,2,16,5,1,4,23,24,25/E:(3,4)(5,6)/rA:26nCCHCCCHCHCHCHCHCHHCHHHNNOH/rB:d1;s2;s2;s4;s5;s6;d6;s8;s8;s10;d10;s12;d5s12;s14;s1;s16;s16;;s19;s19;s19;d4;s1s19s23;s16;s25;/rC:3.0094,.4819,1.2362;3.7196,-.2351,.2992;4.6338,-.4879,.3515;2.8335,-.5185,-.7435;3.0868,-1.2124,-2.0207;4.4029,-1.3826,-2.4557;5.1209,-1.0683,-1.9189;4.6716,-2.0101,-3.6718;5.5698,-2.12,-3.9611;3.6259,-2.475,-4.4611;3.8099,-2.9033,-5.2888;2.3163,-2.3141,-4.0412;1.6028,-2.6387,-4.578;2.0441,-1.6782,-2.8356;1.1428,-1.5578,-2.5605;3.4124,1.1068,2.5294;2.8618,.7216,3.2564;4.3578,.8785,2.7144;.5698,1.1096,1.4407;.2509,.4379,2.079;-.1365,1.3026,.7893;.8047,1.931,1.9208;1.6016,-.0051,-.4711;1.7509,.5976,.7427;3.2696,2.5225,2.5447;3.778,2.8273,1.9226;