.beta.-Alanine, N-(3-trifluoromethylbenzoyl)-, butyl ester, ID: U321586 NIST 24032812152D 1 1.00000 0.00000 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 22 22 0 0 0 1 V2000 2.5936 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 1.7457 1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 3.4913 1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 1.7457 2.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0.8978 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 3.4913 2.4938 0.0000 C 0 0 0 0 0 0 0 0 0 4.3392 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 2.5936 2.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 0.4988 0.0000 F 0 0 0 0 0 0 0 0 0 0.3990 1.8953 0.0000 F 0 0 0 0 0 0 0 0 0 1.3965 0.1496 0.0000 F 0 0 0 0 0 0 0 0 0 12.1199 1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 11.2720 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 10.3742 1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 9.5263 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 5.1871 1.4963 0.0000 N 0 0 0 0 0 0 0 0 0 4.3392 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 8.6784 1.4963 0.0000 O 0 0 0 0 0 0 0 0 0 7.7807 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 6.9328 1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 7.7807 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 6.0849 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 3 1 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 6 3 2 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 5 9 1 0 0 0 5 10 1 0 0 0 5 11 1 0 0 0 8 6 1 0 0 0 7 16 1 0 0 0 7 17 2 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 18 1 0 0 0 16 22 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 19 21 2 0 0 0 20 22 1 0 0 0 M END