MMs02512856 MOE2007 2D CORINA 3.40 0006 02.08.2006 87 88 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 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2572 -1.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 1.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4854 2.6064 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6854 2.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0145 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7573 1.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7718 3.8929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1776 4.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2718 3.8845 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6718 4.9237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0145 2.5813 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6145 1.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2572 1.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5145 2.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2572 1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7572 1.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9999 -0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7426 -1.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2426 -1.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9998 -0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2571 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7571 1.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4998 -0.0755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2425 -1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 5.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2863 6.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5290 5.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2863 6.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2282 3.9096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4709 5.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 3.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4854 2.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4709 5.2212 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3118 5.5318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8531 6.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9622 7.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2654 6.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9617 5.3864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9717 4.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5161 2.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4371 4.5974 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5962 4.9079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8927 6.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4470 3.4883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0067 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2214 -1.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -2.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2931 -0.6806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1663 0.5454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1576 2.0881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2931 0.6806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6514 0.2506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2214 1.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5554 2.4442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8871 1.6654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3700 -0.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7016 -1.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1368 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8367 -2.4045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8629 2.2719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1629 2.2870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2851 -0.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8367 -2.4213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1999 -1.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2504 7.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8921 7.5016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3221 5.8599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9888 5.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8651 6.2403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4351 4.5987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3352 6.2852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1423 7.5550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0659 8.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6621 8.5728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7473 7.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8371 6.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0360 5.6621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2571 7.1698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3210 6.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0826 2.3450 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 52 1 0 0 0 0 3 53 1 0 0 0 0 3 54 1 0 0 0 0 3 55 1 0 0 0 0 4 5 1 0 0 0 0 4 56 1 0 0 0 0 4 57 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 33 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 15 60 1 0 0 0 0 16 17 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 61 1 0 0 0 0 19 62 1 0 0 0 0 20 21 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 65 1 0 0 0 0 23 24 1 0 0 0 0 23 66 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 67 1 0 0 0 0 26 68 1 0 0 0 0 27 28 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 42 1 0 0 0 0 39 40 1 0 0 0 0 39 78 1 0 0 0 0 39 79 1 0 0 0 0 40 41 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 41 42 1 0 0 0 0 41 82 1 0 0 0 0 41 83 1 0 0 0 0 42 43 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 47 1 0 0 0 0 45 48 1 0 0 0 0 47 84 1 0 0 0 0 47 85 1 0 0 0 0 47 86 1 0 0 0 0 48 87 1 0 0 0 0 M END