Isochlorogenic acid b Mrv2104 06072104242D 37 39 0 0 1 0 999 V2000 2.8757 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4462 -0.0814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3002 -0.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8760 2.5855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2531 1.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4468 -0.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 1.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0202 -5.0290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5535 0.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4517 -5.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5549 -1.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8711 1.5699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8750 -0.0792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1591 0.3338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5858 0.3325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1540 1.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8708 2.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1616 -1.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7302 0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1623 -2.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0172 -0.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4489 -3.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4117 -0.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4482 -2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6988 0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7345 -4.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8389 -0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7341 -3.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1271 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4498 -5.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8401 -0.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1624 -3.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4088 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1663 -4.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1253 -1.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 1 0 0 0 1 20 1 0 0 0 0 14 2 1 6 0 0 0 2 21 1 0 0 0 0 15 3 1 1 0 0 0 4 18 2 0 0 0 0 5 18 1 0 0 0 0 6 20 2 0 0 0 0 7 21 2 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 1 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 26 2 0 0 0 0 23 27 2 0 0 0 0 24 26 1 0 0 0 0 24 30 2 0 0 0 0 24 34 1 0 0 0 0 25 27 1 0 0 0 0 25 31 2 0 0 0 0 25 35 1 0 0 0 0 28 30 1 0 0 0 0 28 32 2 0 0 0 0 29 31 1 0 0 0 0 29 33 2 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 34 36 2 0 0 0 0 35 37 2 0 0 0 0 M END