blob: 0aca8447a755e7ff5b76591b94d603d41fe64737 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
|
2-phenylnaphtho[1,2-d][1,3]oxazole
-ISIS- 2D
Used JOELib chemistry kernel (expert systems) ID is 715333816
19 22 0 0 0 0 0 0 0 0 1 V2000
27.8297 -11.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.8297 -12.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.6372 -13.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.4448 -12.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.4448 -11.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.6372 -10.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.2523 -13.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9943 -12.6330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
22.0730 -13.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.7615 -14.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.0730 -16.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.6960 -16.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.0075 -14.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.6306 -14.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.9421 -13.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.6306 -12.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.0075 -12.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.6960 -13.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.1083 -14.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
4 7 1 0 0 0 0
5 6 1 0 0 0 0
7 8 2 0 0 0 0
7 19 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
9 18 1 0 0 0 0
10 11 1 0 0 0 0
10 19 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
13 18 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
M END
|