MMs01909497 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 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 1.5000 0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -1.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 -1.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5141 -2.5735 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1141 -3.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7712 -3.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2712 -3.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0141 -2.5653 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7570 -1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2570 -1.2541 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9999 0.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2428 1.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7428 1.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9858 2.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9857 2.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4857 2.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2428 1.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7427 1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4856 2.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7286 3.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2286 3.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 0.0572 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0065 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0065 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2852 1.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6254 0.4247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1317 -1.7033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4719 -2.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5422 -0.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8824 -0.8620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8626 -2.2900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8559 3.0513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1876 3.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9456 0.8391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3484 0.3325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6856 2.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3229 5.0090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6229 4.9943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7999 0.0262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5282 -5.1716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9339 -6.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 43 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 42 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 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 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 11 1 M CHG 1 24 -1 M END