MMs02391458 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 43 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 1.4219 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1212 -1.9471 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1212 -3.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -1.6752 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1330 -0.6359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -0.3095 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0025 -1.9759 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1540 -2.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4768 -3.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9464 -3.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9977 -0.8536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4673 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9416 -2.5774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -0.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9320 -0.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4063 -1.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8759 -2.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8711 -0.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3968 0.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9273 0.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 -2.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -4.0605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1761 1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3821 1.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 0.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3821 -1.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6183 0.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4400 0.5961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9036 1.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6102 -2.6537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2553 -3.1950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0467 -1.1749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1930 1.3866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5478 1.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3598 1.1988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9794 2.1859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0077 0.8054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4259 -2.6873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5603 -3.8797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4816 -4.5212 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4646 -1.6951 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 41 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 41 -1 M CHG 1 42 -1 M END