13247-98-8.mol ChemDraw07311017262D 90 99 0 0 0 0 0 0 0 0999 V2000 -5.9099 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6144 0.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1444 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3005 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4966 0.4096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3417 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6144 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4402 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1444 -1.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1272 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8946 -1.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0459 0.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3417 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7436 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4402 -1.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5637 -1.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2623 -2.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0459 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7436 -1.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1119 -2.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7501 1.3130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0009 -1.9637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5100 -3.2116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7501 2.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2661 -1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0431 -3.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0459 2.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4774 2.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5694 -2.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2661 -0.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4181 -4.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2085 -3.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0459 3.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4774 3.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8574 -1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5694 -0.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9971 -5.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7798 -4.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7501 3.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8574 -0.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1550 -5.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7501 4.5894 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.7501 5.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5924 4.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9387 4.5894 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9868 -0.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2441 -0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7141 -0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9868 -1.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5168 -0.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2441 0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7141 0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4261 -0.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7141 -1.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2823 -1.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8126 -0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5168 1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4261 1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1380 -0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7141 -2.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2823 -2.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8126 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1380 0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9868 -2.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 1.1980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9189 1.1980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9868 -3.8164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 2.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8498 2.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7141 -4.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8126 2.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3811 2.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5924 2.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1380 2.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7141 -5.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4261 -3.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8126 3.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3811 3.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5924 3.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1380 3.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4261 -5.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1380 -4.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8498 3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1380 -5.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 4.5359 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9351 4.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2507 4.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 5.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1397 3.9465 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 2 6 1 0 2 7 2 0 3 8 2 0 3 9 1 0 4 10 1 0 4 11 2 0 6 12 2 0 7 13 1 0 8 14 1 0 9 15 2 0 10 16 2 0 11 17 1 0 12 18 1 0 13 18 2 0 14 19 2 0 15 19 1 0 16 20 1 0 17 20 2 0 18 21 1 0 19 22 1 0 20 23 1 0 21 24 1 0 22 25 1 0 23 26 1 0 24 27 1 0 24 28 2 0 25 29 1 0 25 30 2 0 26 31 1 0 26 32 2 0 27 33 2 0 28 34 1 0 29 35 2 0 30 36 1 0 31 37 2 0 32 38 1 0 33 39 1 0 34 39 2 0 35 40 1 0 36 40 2 0 37 41 1 0 38 41 2 0 39 42 1 0 42 44 2 0 42 45 1 0 42 43 2 0 46 47 1 0 46 48 1 0 46 49 2 0 47 50 1 0 47 51 2 0 48 52 2 0 48 53 1 0 49 54 1 0 49 55 1 0 50 56 2 0 51 57 1 0 52 58 1 0 53 59 2 0 54 60 2 0 55 61 2 0 56 62 1 0 57 62 2 0 58 63 2 0 59 63 1 0 60 64 1 0 61 64 1 0 62 65 1 0 63 66 1 0 64 67 2 0 65 68 1 0 66 69 1 0 67 70 1 0 68 71 1 0 68 72 2 0 69 73 1 0 69 74 2 0 70 75 1 0 70 76 2 0 71 77 2 0 72 78 1 0 73 79 2 0 74 80 1 0 75 81 2 0 76 82 1 0 77 83 1 0 78 83 2 0 79 84 1 0 80 84 2 0 81 85 1 0 82 85 2 0 83 86 1 0 86 87 1 0 86 88 2 0 86 89 2 0 M CHG 2 45 -1 90 1 M END