7-acetyl echinatine, diTMS, ID: R252361 NIST 24032818162D 1 1.00000 0.00000 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 32 33 0 0 0 1 V2000 4.1900 0.6271 0.0000 C 0 0 0 0 0 0 0 0 0 4.4920 1.5493 0.0000 C 0 0 0 0 0 0 0 0 0 3.7048 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 3.2197 0.6271 0.0000 N 0 0 0 0 0 0 0 0 0 2.9226 1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 1.9504 1.5563 0.0000 C 0 0 0 0 0 0 0 0 0 1.6466 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 2.4310 0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 3.6951 3.0921 0.0000 C 0 0 0 0 0 0 0 0 0 4.5330 3.5820 0.0000 O 0 0 0 0 0 0 0 0 0 5.3709 4.0722 0.0000 C 0 0 0 0 0 0 0 0 0 5.3660 5.0425 0.0000 O 0 0 0 0 0 0 0 0 0 6.2088 3.5871 0.0000 C 0 0 0 0 0 0 0 0 0 7.0468 4.0770 0.0000 C 0 0 0 0 0 0 0 0 0 5.7189 2.7491 0.0000 O 0 0 0 0 0 0 0 0 0 6.8950 2.9010 0.0000 C 0 0 0 0 0 0 0 0 0 7.8848 3.5919 0.0000 C 0 0 0 0 0 0 0 0 0 7.0420 5.0473 0.0000 O 0 0 0 0 0 0 0 0 0 7.8652 2.9010 0.0000 C 0 0 0 0 0 0 0 0 0 6.4049 2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 7.8798 5.5374 0.0000 Si 0 0 0 0 0 0 0 0 0 7.3899 6.3803 0.0000 C 0 0 0 0 0 0 0 0 0 8.3602 4.6994 0.0000 C 0 0 0 0 0 0 0 0 0 8.7178 6.0275 0.0000 C 0 0 0 0 0 0 0 0 0 6.2088 0.9359 0.0000 Si 0 0 0 0 0 0 0 0 0 7.1988 1.1859 0.0000 C 0 0 0 0 0 0 0 0 0 5.2680 0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 6.4588 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 1.4604 2.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0.4901 2.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 1.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0.0000 3.2440 0.0000 C 0 0 0 0 0 0 0 0 0 14 17 1 0 0 0 8 7 1 0 0 0 14 18 1 1 0 0 4 8 1 0 0 0 16 19 1 0 0 0 5 4 1 0 0 0 16 20 1 0 0 0 18 21 1 0 0 0 1 4 1 0 0 0 21 22 1 0 0 0 3 9 1 0 0 0 21 23 1 0 0 0 10 11 1 0 0 0 21 24 1 0 0 0 9 10 1 0 0 0 25 15 1 0 0 0 11 12 2 0 0 0 25 26 1 0 0 0 2 1 1 0 0 0 25 27 1 0 0 0 11 13 1 0 0 0 25 28 1 0 0 0 3 2 2 0 0 0 6 29 1 6 0 0 13 14 1 0 0 0 5 3 1 1 0 0 13 15 1 6 0 0 6 5 1 0 0 0 29 30 1 0 0 0 13 16 1 1 0 0 30 31 2 0 0 0 7 6 1 0 0 0 30 32 1 0 0 0 M END