9 9 0 0000 0 0 0 0 0999 V2000 3.4030 1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9399 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 8 1 0 1 9 1 0 2 3 2 0 2 4 1 0 3 5 1 0 4 6 2 0 5 7 2 0 6 7 1 0 M END > 2 3 8 2 4 8 3 5 8 4 6 8 5 7 8 6 7 8 > InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/i1D,2D,3D,4D,5D/hD2 > PAYRUJLWNCNPSJ-LQHBDRBESA-N > 1/1/N:7,5,6,3,4,2,1/E:(2,3)(4,5)/I:/E:m/rA:14nNCCCCCCH.i2H.i2H.i2H.i2H.i2H.i2H.i2/rB:s1;d2;s2;s3;d4;d5s6;s3;s4;s5;s6;s7;s1;s1;/rC:3.403,1.655,0;3.403,.655,0;4.269,.155,0;2.5369,.155,0;4.269,-.845,0;2.5369,-.845,0;3.403,-1.345,0;4.8059,.465,0;2,.465,0;4.8059,-1.155,0;2,-1.155,0;3.403,-1.965,0;3.9399,1.965,0;2.866,1.965,0; > C6 H7 N > 100.1696 > N([2H])([2H])C1C([2H])=C([2H])C([2H])=C([2H])C=1[2H] > 2015217 $$$$