DR1163 -OEChem-05042003562D 85 88 0 0 0 0 0 0 0999 V2000 13.0681 6.6631 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0524 8.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3969 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2021 6.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5681 7.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5681 5.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6737 10.7408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 12.2294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6988 8.3016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8133 1.1953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4561 4.4996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9844 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6952 10.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3165 12.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 11.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3416 9.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6702 12.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0309 9.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3881 7.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6773 8.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4096 7.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0559 6.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8133 2.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1239 3.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7668 5.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0989 6.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7453 5.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3969 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1024 3.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7703 3.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4131 4.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7488 3.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3916 5.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0595 4.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9342 7.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8002 6.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5313 11.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3669 12.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1689 10.2069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9265 9.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8429 12.7632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0853 13.0108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4804 11.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6448 10.7909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8885 9.7044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7241 10.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1317 13.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2561 13.4351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 12.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8051 7.9012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2839 8.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5494 9.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9955 7.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 6.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4922 6.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1593 5.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0059 0.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5777 2.6278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9990 5.3735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7069 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1629 2.9619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5842 5.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6661 4.5018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3327 7.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5356 7.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4902 6.1262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3371 6.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1102 7.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6652 6.4731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 45 1 0 0 0 0 2 20 2 0 0 0 0 3 32 1 0 0 0 0 3 73 1 0 0 0 0 4 40 1 0 0 0 0 4 44 1 0 0 0 0 5 40 2 0 0 0 0 6 85 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 18 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 27 1 0 0 0 0 12 32 1 0 0 0 0 12 67 1 0 0 0 0 13 28 2 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 17 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 30 1 0 0 0 0 23 63 1 0 0 0 0 24 31 2 0 0 0 0 24 64 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 32 2 0 0 0 0 26 27 2 0 0 0 0 26 33 1 0 0 0 0 27 34 1 0 0 0 0 28 35 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 33 37 2 0 0 0 0 33 68 1 0 0 0 0 34 36 2 0 0 0 0 34 69 1 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 36 37 1 0 0 0 0 36 40 1 0 0 0 0 37 70 1 0 0 0 0 38 41 1 0 0 0 0 38 71 1 0 0 0 0 39 42 2 0 0 0 0 39 72 1 0 0 0 0 41 43 2 0 0 0 0 41 74 1 0 0 0 0 42 43 1 0 0 0 0 42 75 1 0 0 0 0 43 76 1 0 0 0 0 44 77 1 0 0 0 0 44 78 1 0 0 0 0 44 79 1 0 0 0 0 45 46 1 0 0 0 0 45 80 1 0 0 0 0 45 81 1 0 0 0 0 46 82 1 0 0 0 0 46 83 1 0 0 0 0 46 84 1 0 0 0 0 M END $$$$