Alphitolic acid Mrv2104 06072104192D 40 44 0 0 1 0 999 V2000 3.4682 2.9407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1598 3.3367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1588 2.8425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9087 2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 3.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6604 4.1723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3857 4.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0759 4.1778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7659 4.5764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7659 5.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0759 5.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3857 5.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4784 5.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2003 5.3898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2003 4.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4784 4.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8079 5.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4657 6.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6459 6.6072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8199 7.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1089 7.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3508 7.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3306 7.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8937 4.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5806 5.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0105 5.1567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8998 4.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0385 3.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0887 3.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3729 2.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5881 3.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9219 4.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1664 4.2011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7362 3.9582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4811 4.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4868 5.1017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6666 4.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 2.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3098 2.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0411 3.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 10 13 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 9 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 13 19 1 0 0 0 0 19 21 1 6 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 14 24 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 24 27 2 0 0 0 0 9 28 1 6 0 0 0 8 29 1 0 0 0 0 29 30 1 0 0 0 0 5 30 1 0 0 0 0 8 31 1 1 0 0 0 6 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 2 33 1 0 0 0 0 33 35 1 6 0 0 0 35 36 1 0 0 0 0 6 37 1 1 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 1 40 1 0 0 0 0 M END