MMs02388545 MOE2007 2D CORINA 3.40 0006 02.08.2006 82 87 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 1.4840 -0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8181 1.2440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1287 2.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3121 1.3781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9014 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5014 -1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7715 -0.9880 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2808 0.5879 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1293 1.4364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6916 1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2503 3.3593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8527 0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2448 0.3965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4247 1.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2126 2.8076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8168 0.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0289 -0.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4209 -1.2798 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.5724 -2.1283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6008 -0.3536 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9114 -1.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9929 -0.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1728 0.0138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.0213 0.8623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9607 1.4987 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.5687 2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3887 1.1313 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9967 1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7846 3.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1766 2.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3565 3.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1406 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9285 3.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5327 1.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7448 0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1368 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1046 2.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7126 2.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5005 4.2772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5649 -0.5450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.0061 -1.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4910 -1.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4531 -3.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0251 -3.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8490 -1.6472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8315 2.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3166 3.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6157 -1.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1747 1.1872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1872 0.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 -1.1872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4863 1.9744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9592 1.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4145 -0.7914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6761 -1.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4397 -1.3129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6198 2.8397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9607 2.6987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3065 -1.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4304 0.3016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0486 2.9744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4444 5.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4493 -1.7135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5591 -3.0507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1197 -2.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0440 -2.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7122 -2.7469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5092 -4.4318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1940 -4.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5781 -4.4371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1387 -3.7705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2486 -2.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0990 3.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3628 -0.7469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0789 -2.4200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5942 -2.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 0.0291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8425 -1.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6330 -2.7647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6403 2.0842 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 48 1 0 0 0 0 5 6 1 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 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 79 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 13 79 1 0 0 0 0 14 15 1 0 0 0 0 14 56 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 75 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 47 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 81 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 26 27 1 0 0 0 0 26 33 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 31 59 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 40 2 0 0 0 0 36 37 2 0 0 0 0 36 42 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 38 39 2 0 0 0 0 38 62 1 0 0 0 0 39 40 1 0 0 0 0 39 63 1 0 0 0 0 40 41 1 0 0 0 0 41 64 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 43 65 1 0 0 0 0 43 66 1 0 0 0 0 43 67 1 0 0 0 0 44 68 1 0 0 0 0 45 69 1 0 0 0 0 45 70 1 0 0 0 0 45 71 1 0 0 0 0 45 81 1 0 0 0 0 46 72 1 0 0 0 0 46 73 1 0 0 0 0 46 74 1 0 0 0 0 46 81 1 0 0 0 0 48 49 2 0 0 0 0 48 82 1 0 0 0 0 50 76 1 0 0 0 0 50 77 1 0 0 0 0 50 78 1 0 0 0 0 79 80 1 0 0 0 0 M CHG 1 82 -1 M END