MMs01968495 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 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 1.0570 -1.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 -2.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7209 -3.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1711 -3.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5643 -1.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5072 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0145 -1.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 -2.3099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4378 -1.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0545 -0.0470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5568 0.0366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8363 -2.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 -1.0995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4038 -1.6418 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.8614 -3.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9461 -0.2433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8023 -2.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0319 -3.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4304 -4.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5994 -3.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3697 -1.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9712 -1.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7416 0.2382 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.9105 1.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3431 0.7805 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8514 0.8456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8456 0.8514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8514 -0.8456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4963 -2.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 -4.7341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0168 -4.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8218 0.4771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2148 -3.0660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7393 -2.8299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8215 0.0863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0968 -4.4185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6141 -5.3947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7182 -3.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3049 -1.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END