HMDB03069.mol
Mrv0541 02231219382D
26 29 0 0 0 0 999 V2000
-2.3522 -0.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3522 -1.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6377 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9233 -1.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9233 -0.8115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6377 -0.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2088 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5057 -1.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5057 -0.8115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2088 -0.3990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2201 -0.3990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2201 0.4260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5057 0.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2088 0.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0048 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4897 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0048 0.6810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0667 -2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9233 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5057 0.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2201 1.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2597 1.4656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6763 2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0667 1.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2088 -1.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2503 -0.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
4 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 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 10 1 0 0 0 0
11 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 12 1 0 0 0 0
2 18 2 0 0 0 0
5 19 1 1 0 0 0
9 20 1 1 0 0 0
12 21 1 1 0 0 0
17 22 1 1 0 0 0
22 23 1 6 0 0 0
22 24 1 0 0 0 0
10 25 1 6 0 0 0
11 26 1 6 0 0 0
M END