MMs03219582 MOE2007 2D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2455 -1.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2545 1.2912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6581 2.3325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7545 1.2860 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1545 2.3252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7454 -1.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2454 -1.3277 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6454 -2.3669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9909 -2.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4909 -2.6345 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1999 -0.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 2.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0090 2.5772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0042 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3709 -0.4221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -1.1981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6164 -1.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9497 -2.5049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8619 -3.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1952 -3.8118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 3.8841 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 M CHG 1 28 -1 M END