MMs00985193 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 60 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 1.2978 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 -2.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5932 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8935 -2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8959 -0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5655 -0.6207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5710 0.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8231 1.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3554 1.4831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4354 3.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6704 -1.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7867 -2.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1619 -1.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7698 -2.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8862 -3.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2613 -2.7279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8692 -4.0992 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.4692 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9856 -5.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3607 -4.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9686 -5.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4601 -5.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0680 -7.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5596 -7.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4432 -6.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8353 -4.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3438 -4.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6017 1.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0383 0.6017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6017 -1.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2552 -2.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5913 -4.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9317 -2.8580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 1.1958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 2.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9253 4.2574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3399 3.6518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9807 1.5303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2273 0.6216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0801 -0.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3267 -0.9090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9682 -1.7582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0159 -4.6044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2787 -6.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9552 -6.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2790 -3.0612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5256 -3.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8038 -5.9181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0504 -6.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3611 -8.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0459 -8.4165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6364 -6.2347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5422 -3.7664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8575 -3.4798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 M END