MMs02459867 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 71 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 0.2033 1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 2.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7774 1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5741 -0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1854 -0.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9247 -1.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9627 0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2536 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7757 2.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4195 -0.2794 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4195 0.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6599 0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8454 -0.3552 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6939 -1.2037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -1.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1809 -3.0070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8382 -1.7198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8002 -2.8026 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9517 -3.6511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3435 -2.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2190 -4.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6758 -4.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2857 0.0636 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4372 0.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4711 -0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7116 -0.0122 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.0222 -1.1713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1684 -0.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2064 0.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5570 0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9457 0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1311 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9278 -1.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5391 -2.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3537 -1.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8774 -1.6915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3554 -2.7720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7876 2.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3308 2.5110 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1794 3.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2928 1.4282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7936 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9502 2.7155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9121 3.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4553 4.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -0.4536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 2.2215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7546 3.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0228 -2.1081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8852 1.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4904 1.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1505 -2.5749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2642 -3.6424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6407 -1.7218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2458 -1.7720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1083 1.8165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2420 0.1620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8761 -2.5130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3764 -3.5337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9806 2.2833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8669 3.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 -5.3258 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.9501 5.0342 0.0000 O 0 5 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 47 1 0 0 0 0 2 3 2 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 49 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 50 1 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 2 0 0 0 0 22 63 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 42 1 0 0 0 0 29 30 2 0 0 0 0 29 37 1 0 0 0 0 30 31 1 0 0 0 0 30 39 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 57 1 0 0 0 0 33 34 1 0 0 0 0 33 58 1 0 0 0 0 34 35 2 0 0 0 0 34 59 1 0 0 0 0 35 36 1 0 0 0 0 35 60 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 39 61 1 0 0 0 0 39 62 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 45 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 45 46 2 0 0 0 0 45 64 1 0 0 0 0 M CHG 1 63 -1 M CHG 1 64 -1 M END