12 12 0 0000 0 0 0 0 0999 V2000 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 2 3 1 0 2 6 1 0 2 7 1 0 3 4 1 0 4 5 1 0 5 8 2 0 5 9 1 0 8 10 1 0 9 11 2 0 10 12 2 0 11 12 1 0 M END > 10 12 8 11 12 8 5 8 8 5 9 8 8 10 8 9 11 8 > InChI=1S/C10H13NO/c1-11(2)8-10(12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 > UMLWXYJZDNNBTD-UHFFFAOYSA-N > 1/0/N:6,7,12,10,11,8,9,3,5,4,2,1/E:(1,2)(4,5)(6,7)/rA:25nONCCCCCCCCCCHHHHHHHHHHHHH/rB:;s2;d1s3;s4;s2;s2;d5;s5;s8;d9;d10s11;s3;s3;s6;s6;s6;s7;s7;s7;s8;s9;s10;s11;s12;/rC:2,1,0;3.7321,2,0;3.7321,1,0;2.866,.5,0;2.866,-.5,0;4.5981,2.5,0;2.866,2.5,0;3.7321,-1,0;2,-1,0;3.7321,-2,0;2,-2,0;2.866,-2.5,0;4.3426,1.1077,0;3.9441,.4174,0;4.2881,3.0369,0;5.135,2.81,0;4.9081,1.9631,0;3.176,3.0369,0;2.3291,2.81,0;2.556,1.9631,0;4.269,-.69,0;1.4631,-.69,0;4.269,-2.31,0;1.4631,-2.31,0;2.866,-3.12,0; > C10 H13 N O > 163.2163 > O=C(C1C([H])=C([H])C([H])=C([H])C=1[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H] > 121539 $$$$