MMs03082747 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 1.4446 -0.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9607 1.0044 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5607 2.0437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4596 0.9488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 -0.4940 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1805 -1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6246 -1.3301 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3127 -0.0837 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1613 0.7649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9024 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6325 2.6695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6231 -0.8137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9105 -0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8876 1.4559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2209 -0.7740 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2209 0.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5083 -0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4854 1.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7728 2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0831 1.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1061 0.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8186 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2438 -2.2738 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7440 -2.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7436 -2.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1246 2.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7851 3.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4288 -1.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3232 1.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1557 0.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3232 -1.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6414 -2.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4371 2.0796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7545 3.4652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1131 2.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1543 -0.5486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8370 -1.9342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4542 -0.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3838 -2.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3118 -2.3203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -3.7737 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3720 2.1484 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 27 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 29 39 1 0 0 0 0 29 40 1 0 0 0 0 29 41 1 0 0 0 0 M CHG 1 42 -1 M CHG 1 43 -1 M END