MMs00027979 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 60 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 -0.7433 -1.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0133 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5133 -2.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2566 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7254 -1.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8898 -3.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5227 -3.6999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -4.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 -0.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2639 -1.0387 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9533 0.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3735 -0.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0541 1.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8024 -0.4855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9120 0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3409 0.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -1.3980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9709 -2.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5507 -2.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1218 -1.9511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4324 -3.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0122 -2.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3316 -4.4261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 -2.5043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0892 -1.8542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1988 -0.8448 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1894 0.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2082 -1.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3084 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7373 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8469 0.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5275 2.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0986 2.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9890 1.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6371 3.1928 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6053 1.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 -1.3090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5814 -3.6403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0947 1.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9321 -3.6775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8856 0.1515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3929 0.4799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9626 1.2578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4699 1.5863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5019 1.2568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5400 0.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5001 -3.1413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9928 -3.4697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6956 -3.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3447 -3.0267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9928 -1.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9900 0.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8431 3.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8458 1.9952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 38 1 0 0 0 0 2 3 2 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 14 15 2 0 0 0 0 14 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 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 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 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 32 53 1 0 0 0 0 33 34 1 0 0 0 0 33 54 1 0 0 0 0 34 35 2 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 35 55 1 0 0 0 0 36 56 1 0 0 0 0 M END