MMs01279029 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 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 1.1111 -1.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5794 -0.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3247 -2.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -3.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9489 -2.4989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3529 -3.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6492 -2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9509 -3.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9564 -4.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6601 -5.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -4.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2581 -5.4801 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -4.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8159 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 -3.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7020 -0.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1932 -1.1170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0793 0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5705 -0.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4565 1.1414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9982 2.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5733 3.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2149 3.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3771 4.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7496 5.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9599 4.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7977 3.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4252 2.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9565 1.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8338 -0.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8062 0.8889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8889 0.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8062 -0.8889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0715 0.3933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6448 -1.2895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9880 -2.6310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6644 -6.6895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6787 -5.3480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4488 -4.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 -5.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7982 -4.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6253 -0.4249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0369 0.1975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0026 0.6233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4142 1.2456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2355 -1.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6471 -0.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4088 5.6470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8794 6.7363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0579 5.1413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7660 2.4572 0.0000 H 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 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 23 2 0 0 0 0 22 24 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 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 M END