MMs02594755 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 43 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 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2409 -1.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 1.2833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8590 2.3225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5181 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0182 2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 1.2728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7408 -1.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7589 1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2589 1.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2407 -1.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7408 -1.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4997 -0.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2588 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7516 1.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7475 0.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0738 2.8318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7800 3.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6336 5.0837 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6583 2.5949 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.4483 3.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0084 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0084 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.0497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1975 -1.9075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8336 -2.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2843 -0.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3662 2.3078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1662 2.2952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8661 2.2764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8334 -2.4001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1335 -2.3812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0925 -1.1168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9287 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5479 3.9127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9679 4.5319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2772 3.8813 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 42 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 1 42 -1 M END