12048 -OEChem-03282421542D 23 22 0 0 0 0 0 0 0999 V2000 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 M END > 12048 > 1 > 21.5 > 0 > 0 > 3 > AAADceBgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADQCAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-ethylpentane > 3-ethylpentane > 3-ethylpentane > 3-ethylpentane > 3-ethylpentane > 3-ethylpentane > InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3 > AORMDLNPRGXHHL-UHFFFAOYSA-N > 3.7 > 100.125200510 > C7H16 > 100.20 > CCC(CC)CC > CCC(CC)CC > 0 > 100.125200510 > 0 > 7 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 $$$$