MMs00399895 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 57 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 1.4195 0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 1.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1287 2.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2584 1.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 -0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5491 -0.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2788 -0.7473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4221 -1.9387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3783 0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7476 1.6340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8368 1.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3086 0.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7935 -0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8067 -1.7259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3349 -1.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2652 -0.8860 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.2521 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7238 -0.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2087 -1.4655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7106 1.0836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1824 0.7939 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.8718 1.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6673 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1390 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1259 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6409 1.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1692 1.9235 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.0177 2.7721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6842 3.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3879 1.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1356 -0.3879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3879 -1.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8055 2.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3605 3.6190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3173 -1.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4489 2.2485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0980 1.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5455 -2.3399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2249 0.8642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6848 1.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3227 2.2192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4816 -0.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6435 -1.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7063 -2.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1662 -1.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8788 -0.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1768 0.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8266 1.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6648 2.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8198 3.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2963 4.4786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5487 2.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M END