2-decarboxy-isobetanin Mrv2104 06072104222D 39 42 0 0 1 0 999 V2000 20.4379 -14.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1519 -14.3120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1473 -13.4894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4303 -13.0781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7163 -13.4956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7192 -14.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8092 -21.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5347 -21.7752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2343 -21.3479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2376 -20.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5235 -20.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8062 -20.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2204 -21.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9471 -21.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4334 -22.7261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4223 -21.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9429 -22.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6637 -21.3449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5253 -19.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1078 -18.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1036 -17.8655 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.6810 -16.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4630 -17.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5079 -16.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7619 -17.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5621 -17.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1139 -16.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8597 -16.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0539 -15.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9389 -16.9302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4421 -15.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0889 -18.9679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5085 -22.5187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8660 -14.7254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4253 -12.2491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9972 -13.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8576 -13.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9930 -12.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8924 -20.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 12 2 0 0 0 0 20 21 2 0 0 0 0 21 25 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 24 22 1 0 0 0 0 22 23 1 0 0 0 0 23 21 1 0 0 0 0 24 25 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 7 13 1 0 0 0 0 7 8 1 0 0 0 0 9 14 1 1 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 27 30 1 0 0 0 0 13 15 2 0 0 0 0 28 31 1 0 0 0 0 1 2 1 0 0 0 0 13 16 1 0 0 0 0 1 6 1 0 0 0 0 19 32 1 0 0 0 0 14 17 1 0 0 0 0 8 33 1 0 0 0 0 31 1 1 6 0 0 0 2 3 1 0 0 0 0 2 34 1 1 0 0 0 14 18 2 0 0 0 0 4 35 1 1 0 0 0 3 4 1 0 0 0 0 5 36 1 6 0 0 0 11 19 2 0 0 0 0 3 37 1 6 0 0 0 4 5 1 0 0 0 0 36 38 1 0 0 0 0 19 20 1 0 0 0 0 9 39 1 6 0 0 0 M CHG 1 21 1 M END