MMs02813999 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 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 1.2943 0.7582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6075 -1.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9113 -2.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2055 -1.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8923 0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4903 0.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0883 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0788 2.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7585 0.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7693 -0.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2692 -0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0274 -1.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2857 -3.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7857 -3.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0275 -1.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5583 -1.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6717 -2.2335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5274 -1.6990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.0611 2.1537 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4847 2.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6058 1.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0294 2.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3320 3.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2109 4.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7873 4.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0354 -0.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6066 -1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5721 -2.0901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9189 -3.4253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2486 -2.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8847 1.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7132 1.7055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2558 1.7152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8017 -1.1506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8626 0.6287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8922 -4.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1923 -4.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3637 0.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9262 1.3049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4709 3.9494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4530 5.7433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8904 4.8928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 M END