MMs02455938 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 61 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 -1.2937 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -0.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6087 1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 2.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 2.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5874 1.5184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8811 2.2776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4791 2.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7805 3.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2711 3.9328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8910 2.5668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7834 1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 0.0553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5003 -0.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3604 2.2654 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0498 3.4245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4679 3.2770 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3165 4.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7723 2.5362 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.8115 1.9362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4708 1.0668 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.1602 -0.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9802 0.8994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4824 -0.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0290 -1.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8382 -2.3567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1382 3.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2552 4.3503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3006 4.7676 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.8917 -0.7776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 -0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4897 -0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7940 -0.0553 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8811 -2.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1747 -3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1641 -4.5368 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0435 -0.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 -1.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6521 2.0741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3235 3.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2745 3.4591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8725 3.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9713 4.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5089 -1.9039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2144 0.9101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5459 -0.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4312 0.8878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9739 0.8769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1008 -1.2529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2545 -1.7208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7008 -2.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4626 -3.4023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3839 -2.4744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3550 -3.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 41 1 0 0 0 0 2 3 2 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 18 2 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 2 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 31 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 34 35 1 0 0 0 0 34 38 1 0 0 0 0 35 36 1 0 0 0 0 35 51 1 0 0 0 0 35 52 1 0 0 0 0 36 37 1 0 0 0 0 36 53 1 0 0 0 0 36 54 1 0 0 0 0 38 39 1 0 0 0 0 38 55 1 0 0 0 0 38 56 1 0 0 0 0 39 40 1 0 0 0 0 39 57 1 0 0 0 0 39 58 1 0 0 0 0 M CHG 1 33 -1 M END