MMs01793691 MOE2007 2D CORINA 3.40 0006 02.08.2006 81 84 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 0.0081 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0311 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3112 -2.2429 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3112 -1.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3194 -3.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6225 -4.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6062 -1.4859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9093 -2.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 -3.7288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5073 -2.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8023 -1.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1053 -2.2006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4003 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7034 -2.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7115 -3.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9983 -1.4295 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3101 -0.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3650 0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7052 0.2960 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.7052 1.4960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4786 -1.1868 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6494 -2.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0468 -1.5793 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.0468 -2.7793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2734 -0.0965 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.5840 1.0626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1026 0.8412 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.7920 -0.3179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3292 2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7266 2.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8975 1.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2949 2.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4657 1.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8632 2.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2391 0.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8417 -0.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6709 0.4487 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.4443 -1.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2177 -2.5169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1236 -2.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0588 -2.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2868 -2.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0065 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5997 -0.2859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4279 -0.5567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9706 -0.5483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7410 -3.1381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2836 -3.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6240 -0.5285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7835 -0.9818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8087 -0.4262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5499 0.8318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4283 1.7199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0131 1.9797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7480 -2.9166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2730 -3.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1295 2.2965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0938 3.5006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1030 3.8943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6280 3.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4762 3.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4388 0.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4745 -1.1205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4653 -1.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9403 -1.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2580 -0.8528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3536 -1.6272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6305 -1.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0364 -3.7031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9577 -2.3602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9816 -3.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2895 -2.9281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5901 -3.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3293 -1.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0244 -4.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0309 -5.6999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 45 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 80 1 0 0 0 0 8 9 1 0 0 0 0 8 49 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 13 1 0 0 0 0 12 52 1 0 0 0 0 12 53 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 16 17 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 30 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 42 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 40 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 35 2 0 0 0 0 34 40 1 0 0 0 0 35 36 1 0 0 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