MMs00029570 MOE2007 2D CORINA 3.40 0006 02.08.2006 65 65 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 1.2938 -0.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2834 -2.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8918 -0.7770 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8918 0.4230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4898 -0.7950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2064 1.4640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5106 2.2049 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4714 2.8049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8044 1.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1086 2.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1190 3.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8252 4.4459 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8645 5.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5210 3.7049 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5210 4.9049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2272 4.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8356 5.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4025 1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 -0.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7067 2.1689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0005 1.4099 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.0005 2.6099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9901 -0.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2839 -0.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2735 -2.3490 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.7734 -2.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7735 -2.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2631 -3.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3047 2.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5985 1.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3151 3.6509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1752 -3.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6072 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 0.6072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6072 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2546 -1.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0834 -2.2506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 -3.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4834 -2.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8331 0.9066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3757 0.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1714 2.0711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7961 0.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2993 3.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5373 4.8117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2355 5.6639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8790 6.5386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7150 3.3689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8098 0.1265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5718 -1.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7021 0.2758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4642 -1.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0631 -3.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2548 -5.0489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4631 -3.8572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3584 4.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2800 4.2581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5681 -4.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2103 -3.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7824 -2.0009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8814 -2.2770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8381 -2.8697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 64 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 2 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 32 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 64 65 1 0 0 0 0 M END