MMs01422354 MOE2007 2D CORINA 3.40 0006 02.08.2006 62 65 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 -0.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2461 -1.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7461 -1.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7539 1.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 1.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5077 2.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0179 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0045 1.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9955 -1.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.0224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2461 -1.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7461 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7538 1.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2538 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9999 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7461 -1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9922 -2.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2461 -1.3416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9922 -2.6429 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.5922 -1.6037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2383 -3.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9844 -5.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4844 -5.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2383 -3.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4922 -2.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2460 -1.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7460 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4921 -2.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7383 -3.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0036 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0036 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -2.3432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 -2.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 2.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5452 1.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1109 3.6220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4703 3.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1172 -1.7308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4509 -2.5061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5342 -2.5093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8725 -1.7420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5490 2.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8827 1.6769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1274 1.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4658 2.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 0.3712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7951 1.1465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8492 -0.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3213 -3.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3167 -4.7083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8555 -5.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1892 -6.4234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2725 -6.4266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6108 -5.6593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6491 -0.3096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3491 -0.3177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6921 -2.6600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3352 -4.9942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -0.0314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 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 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 62 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 62 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 17 62 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 51 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 29 30 2 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 M END