MMs03687368 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 42 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 -0.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2413 -1.3140 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8413 -2.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4826 -2.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -3.9120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7413 -1.3240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7586 1.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3999 -1.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7585 1.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0172 2.5580 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6241 3.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7412 -1.3440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2412 -1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9825 -2.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4824 -2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2238 -3.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7237 -3.9820 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.9237 -3.9820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4651 -5.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9650 -5.2961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5931 1.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6069 -1.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1069 1.0252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3343 -2.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6726 0.4765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6829 2.0192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1343 -2.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8521 -3.0609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1830 -3.8412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2819 -1.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6128 -2.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0934 -4.3749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4243 -5.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0173 -2.5980 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.7064 -6.5801 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.4824 -2.6880 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.5176 -3.2949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0893 -1.6528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4472 -2.0811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 M CHG 1 38 -1 M CHG 1 39 -1 M CHG 1 40 1 M END