B95VWS -OEChem-04012117232D 85 88 0 0 0 0 0 0 0999 V2000 4.8356 3.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8356 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8356 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5677 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9848 4.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1585 5.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8112 3.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1658 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1658 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2997 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4337 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5677 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0318 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2997 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0318 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2997 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5677 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0318 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1658 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5677 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1036 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1077 5.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 4.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 4.2368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 5.5508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2661 6.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5479 5.7661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2006 3.7964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7036 3.0782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4218 3.5812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4327 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2386 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7027 -5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0352 -4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8322 -4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2386 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4327 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2386 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7218 -6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5687 -6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3418 -5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9897 -5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7628 -6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6097 -6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5687 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7628 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1046 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4327 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2386 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5687 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1658 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2987 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2577 -6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1046 -6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8777 -5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3496 -5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5896 -5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7936 -2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5666 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4136 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 4 31 1 0 0 0 0 4 42 1 0 0 0 0 5 37 1 0 0 0 0 5 43 1 0 0 0 0 6 38 1 0 0 0 0 6 44 1 0 0 0 0 7 41 2 0 0 0 0 8 34 1 0 0 0 0 8 41 1 0 0 0 0 8 76 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 16 2 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 18 1 0 0 0 0 15 54 1 0 0 0 0 16 22 1 0 0 0 0 16 55 1 0 0 0 0 17 25 2 0 0 0 0 17 26 1 0 0 0 0 18 22 2 0 0 0 0 18 57 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 29 2 0 0 0 0 21 23 1 0 0 0 0 21 30 2 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 31 1 0 0 0 0 24 32 2 0 0 0 0 25 35 1 0 0 0 0 25 61 1 0 0 0 0 26 36 2 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 39 1 0 0 0 0 29 69 1 0 0 0 0 30 40 1 0 0 0 0 30 70 1 0 0 0 0 31 37 2 0 0 0 0 32 33 1 0 0 0 0 32 71 1 0 0 0 0 33 38 2 0 0 0 0 33 41 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 72 1 0 0 0 0 36 73 1 0 0 0 0 37 38 1 0 0 0 0 39 40 2 0 0 0 0 39 74 1 0 0 0 0 40 75 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 43 82 1 0 0 0 0 44 83 1 0 0 0 0 44 84 1 0 0 0 0 44 85 1 0 0 0 0 M END $$$$