MMs03927283 MOE2007 2D CORINA 3.40 0006 02.08.2006 81 83 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 1.3006 0.7473 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3006 -0.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5949 -1.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8987 0.7419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0108 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1961 1.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 -1.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4967 0.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4999 2.2364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9479 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4145 -1.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1672 -0.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1658 0.5910 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3173 1.4395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4807 2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3681 3.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9083 2.5181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0209 1.5121 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3315 2.6712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7060 0.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8186 -0.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2461 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3588 -1.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0438 -2.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6163 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5037 -2.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4484 1.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5611 0.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7634 3.4392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1909 3.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3035 2.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7311 3.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0460 4.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9334 5.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5059 5.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4736 5.2814 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 20.5862 4.2754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7885 6.7479 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3037 2.2473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0063 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0094 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2943 2.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5918 3.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8924 2.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1899 3.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2989 0.5202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0405 -0.5978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5978 -1.0405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9012 1.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 -1.5083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1905 -2.7108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7930 -1.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3479 -1.5071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 -2.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0413 -2.9638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5097 -2.3137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6518 -0.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5696 -0.0808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1602 3.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1501 0.2714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3870 -0.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3721 0.0867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5008 -1.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9339 -3.7774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3643 -4.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3616 -2.7955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8733 4.2440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0516 1.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6212 2.5494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1853 7.0001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6158 6.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3442 2.8451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9096 1.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0676 1.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8185 3.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3612 3.9263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8955 0.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9360 0.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 42 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 52 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 53 1 0 0 0 0 9 54 1 0 0 0 0 9 55 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 16 1 0 0 0 0 13 14 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 15 1 0 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 15 16 1 0 0 0 0 15 60 1 0 0 0 0 15 61 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 62 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 30 1 0 0 0 0 23 24 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 26 66 1 0 0 0 0 27 28 2 0 0 0 0 27 67 1 0 0 0 0 28 29 1 0 0 0 0 28 68 1 0 0 0 0 29 69 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 70 1 0 0 0 0 33 34 1 0 0 0 0 33 38 2 0 0 0 0 34 35 2 0 0 0 0 34 71 1 0 0 0 0 35 36 1 0 0 0 0 35 72 1 0 0 0 0 36 37 2 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 37 73 1 0 0 0 0 38 74 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 42 43 1 0 0 0 0 42 75 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 45 76 1 0 0 0 0 45 77 1 0 0 0 0 46 47 1 0 0 0 0 46 78 1 0 0 0 0 46 79 1 0 0 0 0 47 48 2 0 0 0 0 47 80 1 0 0 0 0 80 81 1 0 0 0 0 M CHG 1 39 1 M CHG 1 41 -1 M END