0 HEADER BLOCK: PubChem CID13771618
1 HEADER BLOCK: PubChem Info -OEChem-09261722322D
2 HEADER BLOCK: Comment line
3 CONNECTION TABLE (CTAB)-counts line: number of atoms, bonds, and atom lists, the chiral flag setting, and the Ctab version 32 33 0 1 0 0 0 0 0999 V2000
4 CTAB: Atom block: x,y,z coordinates; atomic symbol, any mass difference, charge, stereochemistry, and associated hydrogens for each atom. 5.6114 -0.8192 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5 2.0000 -0.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 3.2320 0.7308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7 3.7320 -0.1352 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8 4.5981 -0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9 4.5981 -1.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10 3.7320 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11 2.8660 -0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12 2.8660 -1.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13 4.4981 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14 5.4378 0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15 4.3244 1.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16 2.2320 0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17 6.2038 0.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18 5.0905 2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19 6.0302 1.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20 5.2087 -0.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
21 4.8101 -0.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
22 4.8101 -2.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
23 5.2087 -1.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
24 3.3335 -2.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
25 4.1306 -2.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
26 2.2554 -1.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
27 2.6540 -2.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
28 3.3397 1.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
29 3.7418 1.7045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
30 2.2320 1.3508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
31 1.6120 0.7308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
32 2.2320 0.1108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
33 6.7864 0.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
34 4.9828 2.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
35 6.5051 2.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
36 CTAB: Bond block: two atoms connected by the bond, the bond type, and any bond stereochemistry and topology (chain or ring properties) for each bond. 1 11 1 0 0 0 0
37 2 8 2 0 0 0 0
38 3 4 1 0 0 0 0
39 3 13 1 0 0 0 0
40 3 25 1 0 0 0 0
41 4 5 1 0 0 0 0
42 4 8 1 0 0 0 0
43 4 10 1 0 0 0 0
44 5 6 1 0 0 0 0
45 5 17 1 0 0 0 0
46 5 18 1 0 0 0 0
47 6 7 1 0 0 0 0
48 6 19 1 0 0 0 0
49 6 20 1 0 0 0 0
50 7 9 1 0 0 0 0
51 7 21 1 0 0 0 0
52 7 22 1 0 0 0 0
53 8 9 1 0 0 0 0
54 9 23 1 0 0 0 0
55 9 24 1 0 0 0 0
56 10 11 1 0 0 0 0
57 10 12 2 0 0 0 0
58 11 14 2 0 0 0 0
59 12 15 1 0 0 0 0
60 12 26 1 0 0 0 0
61 13 27 1 0 0 0 0
62 13 28 1 0 0 0 0
63 13 29 1 0 0 0 0
64 14 16 1 0 0 0 0
65 14 30 1 0 0 0 0
66 15 16 2 0 0 0 0
67 15 31 1 0 0 0 0
68 16 32 1 0 0 0 0
69 CTAB: Properties block: the charges, radicals etc.M END
