gochem/resources/methyl-vinyl-ketone.sdf
chemistry-software 0841f1190b SDF molfile parser
2024-09-26 13:50:26 +02:00

28 lines
1.0 KiB
Plaintext

CT1000182986
11 10 0 0 0 999 V2000
-0.0184 1.5028 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0609 -0.5963 -0.0113 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2545 -0.7525 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2364 -2.0870 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0042 1.8801 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5455 1.8639 -0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5286 1.8543 0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1970 -0.2253 0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1642 -2.6397 0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2939 -2.6142 -0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 6 1 0 0 0 0
1 7 1 0 0 0 0
1 8 1 0 0 0 0
2 3 2 0 0 0 0
2 4 1 0 0 0 0
4 5 2 0 0 0 0
4 9 1 0 0 0 0
5 10 1 0 0 0 0
5 11 1 0 0 0 0
M END
$$$$