2,17-didecarboxy-neobetanin Mrv2104 06072104222D 33 36 0 0 1 0 999 V2000 2.0614 -1.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3469 -1.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3469 -2.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0614 -3.2190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7758 -2.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7758 -1.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6324 -3.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -2.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6324 -4.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0613 -0.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3468 -0.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3468 0.4934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0142 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7593 1.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9343 1.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6794 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3822 2.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4247 2.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6796 1.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1275 0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4866 1.2486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9767 2.8178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7836 2.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3357 3.2594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1428 3.0879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3976 2.3033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8456 1.6901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0386 1.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1005 0.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9076 0.7340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2046 2.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6948 3.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0807 4.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 7 9 2 0 0 0 0 7 8 1 0 0 0 0 1 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 15 17 1 0 0 0 0 20 16 1 0 0 0 0 22 18 1 6 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 23 24 1 0 0 0 0 27 28 1 0 0 0 0 23 28 1 0 0 0 0 27 29 1 6 0 0 0 29 30 1 0 0 0 0 24 33 1 1 0 0 0 25 32 1 6 0 0 0 26 31 1 1 0 0 0 M END