MMs00030279 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 66 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 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9729 -1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7653 -2.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4541 -1.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0433 -3.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -3.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2316 -2.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3503 -4.7615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8488 -4.6929 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2488 -5.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5386 -3.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -3.2924 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8456 -4.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1558 -5.8877 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3558 -5.8877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6574 -5.9563 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2574 -6.9955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9675 -7.2883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6144 -8.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9644 -7.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -8.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3004 -2.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2319 -0.9853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6324 -3.1736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8958 -2.3650 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8958 -3.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8272 -0.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0906 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4226 -0.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4911 -2.2463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2278 -3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2963 -4.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9685 -1.7939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5012 -3.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0011 -3.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7651 -2.3357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1175 1.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1754 0.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3666 1.2025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6721 0.2672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0659 -0.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5798 -2.4488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5535 -0.9488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0471 -2.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -4.0282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3055 -4.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7985 -5.8270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3934 -3.0025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6927 -2.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7287 -3.7432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7992 -5.2843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6872 -4.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6562 -1.1288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3657 0.2411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2781 0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8191 0.8956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7810 0.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6126 -0.9020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5567 -2.7981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9029 -1.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3692 -4.0085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6968 -4.7943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 -4.9336 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 35 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 46 1 0 0 0 0 6 47 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 32 33 2 0 0 0 0 34 61 1 0 0 0 0 35 36 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 36 37 2 0 0 0 0 36 64 1 0 0 0 0 M CHG 1 64 -1 M END