MMs02535592 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 63 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 1.5000 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -1.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -1.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7582 1.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2582 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0380 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9904 -1.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0094 1.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 -0.0476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2581 1.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7580 1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 -0.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5163 2.5315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7745 3.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5327 5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0327 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7909 6.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0492 7.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5492 7.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7910 6.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0162 2.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7580 1.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9998 -0.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2579 1.2087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9997 -0.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4997 -0.1046 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.8997 -1.1438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3736 -1.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8031 -0.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8126 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3890 1.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0076 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6351 -2.3487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3351 -2.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3647 2.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6648 2.3278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0932 -1.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1331 1.6643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4739 2.4271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8504 3.0697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8602 4.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6261 4.0769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9909 6.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6558 8.7534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9558 8.7705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5910 6.4408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8154 3.7050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1464 2.9252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8645 2.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8695 -0.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2006 -1.2782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3306 -1.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8548 -2.4230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0452 -2.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9973 -0.7514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 0.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0696 1.8029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 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 23 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 33 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 M END