.beta.-Alanine, N-(3-bromobenzoyl)-, octyl ester, ID: U321645 NIST 24032807152D 1 1.00000 0.00000 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 23 23 0 0 0 1 V2000 0.8496 0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 1.4993 0.0000 C 0 0 0 0 0 0 0 0 0 1.7491 1.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0.8496 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0.0000 2.4988 0.0000 C 0 0 0 0 0 0 0 0 0 1.7491 2.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0.8496 2.9985 0.0000 C 0 0 0 0 0 0 0 0 0 2.5987 2.9985 0.0000 C 0 0 0 0 0 0 0 0 0 13.8432 2.4988 0.0000 C 0 0 0 0 0 0 0 0 0 12.9937 2.9985 0.0000 C 0 0 0 0 0 0 0 0 0 3.4483 2.4988 0.0000 N 0 0 0 0 0 0 0 0 0 2.5987 3.9980 0.0000 O 0 0 0 0 0 0 0 0 0 12.0941 2.4988 0.0000 C 0 0 0 0 0 0 0 0 0 11.2445 2.9985 0.0000 C 0 0 0 0 0 0 0 0 0 4.2979 2.9985 0.0000 C 0 0 0 0 0 0 0 0 0 5.1975 2.4988 0.0000 C 0 0 0 0 0 0 0 0 0 6.0470 2.9985 0.0000 C 0 0 0 0 0 0 0 0 0 6.8966 2.4988 0.0000 O 0 0 0 0 0 0 0 0 0 6.0470 3.9980 0.0000 O 0 0 0 0 0 0 0 0 0 10.3949 2.4988 0.0000 C 0 0 0 0 0 0 0 0 0 9.4954 2.9985 0.0000 C 0 0 0 0 0 0 0 0 0 7.7962 2.9985 0.0000 C 0 0 0 0 0 0 0 0 0 8.6458 2.4988 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 3 1 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 6 3 2 0 0 0 5 7 2 0 0 0 7 6 1 0 0 0 6 8 1 0 0 0 8 11 1 0 0 0 8 12 2 0 0 0 9 10 1 0 0 0 10 13 1 0 0 0 11 15 1 0 0 0 13 14 1 0 0 0 14 20 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 17 19 2 0 0 0 18 22 1 0 0 0 20 21 1 0 0 0 21 23 1 0 0 0 22 23 1 0 0 0 M END