MMs03642287 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 53 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 1.3027 0.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3101 2.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0128 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5980 1.1872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5907 -1.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 -2.2691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 0.7308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1887 -1.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4988 0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5062 2.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 2.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 2.2053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0968 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4069 2.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4143 4.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7023 2.1925 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7415 1.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0050 2.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3003 2.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6030 2.9233 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.8984 2.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5949 1.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0422 -0.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5949 -1.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2635 1.3436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5101 2.2377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 3.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1101 2.2495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9067 1.9308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4988 -0.4819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3234 2.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1013 3.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0421 3.8847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5847 3.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2796 0.9079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5017 -0.4243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0183 -0.9538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5610 -0.9614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2382 3.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7808 3.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5245 1.2643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0671 1.2567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2933 1.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9346 1.5618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5035 3.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6527 0.0976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -2.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6949 0.6925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7312 0.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2821 -3.4563 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 2 28 1 0 0 0 0 3 29 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 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 50 1 0 0 0 0 8 9 1 0 0 0 0 8 32 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 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 51 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 49 51 1 0 0 0 0 50 53 1 0 0 0 0 51 52 1 0 0 0 0 M END