MMs00234840 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 0.7542 -1.2966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0085 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -1.2917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2591 -2.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2493 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -1.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -1.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0085 -2.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5085 -2.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 -1.2721 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2493 0.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2591 -2.7721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7542 -1.2672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9999 0.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7542 -1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0084 -2.5588 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2084 -2.5588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5084 -2.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7627 -3.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0169 -5.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0373 0.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6034 1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0373 -0.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 -2.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5881 -3.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0497 -3.1947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8966 1.0520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5966 1.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6119 -3.6157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9119 -3.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3710 0.4411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7045 1.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7877 1.2203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1262 0.4533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6709 -0.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6759 -2.0257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3822 -2.9778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7207 -3.7448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2627 -3.8505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8661 -4.8878 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 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 22 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 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 43 44 1 0 0 0 0 M END