B59SWA -OEChem-04042101413D 54 57 0 0 0 0 0 0 0999 V2000 -4.1066 -2.6815 0.6485 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3801 -1.0941 1.9967 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 2.3415 -0.7718 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3016 0.7574 0.3989 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6106 1.2465 -1.9162 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0275 -1.3676 -0.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3256 -2.1383 -0.3401 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 1.6984 0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2846 1.7465 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 3.0231 0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1363 -0.5617 0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4358 2.2126 -2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0058 2.4678 0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5004 1.3049 0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5423 1.5338 -2.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2285 -1.4145 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7772 -1.0370 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6280 0.5007 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4858 -0.8731 0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1305 1.2681 1.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1462 3.1485 0.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3111 -1.8271 -0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 0.7491 1.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4115 2.6295 0.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9474 -2.7315 -0.4879 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0439 -1.9980 0.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8964 -2.1083 -1.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5362 1.4299 1.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -2.4502 0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2145 -2.5605 -1.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3566 -3.2150 -0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5401 1.4017 1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5057 2.6981 0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0045 2.9645 1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 4.0777 0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3985 2.6021 -2.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5508 2.3790 0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5319 1.2372 -3.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6021 0.9350 -0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3735 -1.4998 0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2471 0.7457 1.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0641 4.0834 -0.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4881 -1.2679 -1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 -0.1708 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2997 3.1597 0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6591 -1.8081 1.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3366 -1.9778 -2.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5214 1.0283 1.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9212 -2.5886 1.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6579 -2.7734 -2.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5128 -4.0007 0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5574 -3.6798 -1.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2685 -2.5207 -0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2324 -1.7760 0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 17 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 14 2 0 0 0 0 5 9 2 0 0 0 0 5 15 1 0 0 0 0 6 17 1 0 0 0 0 6 22 1 0 0 0 0 6 43 1 0 0 0 0 7 31 1 0 0 0 0 7 53 1 0 0 0 0 7 54 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 10 13 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 15 2 0 0 0 0 12 36 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 18 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 16 19 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 23 1 0 0 0 0 20 41 1 0 0 0 0 21 24 2 0 0 0 0 21 42 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 28 2 0 0 0 0 23 44 1 0 0 0 0 24 28 1 0 0 0 0 24 45 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 25 31 1 0 0 0 0 26 29 1 0 0 0 0 26 46 1 0 0 0 0 27 30 2 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 M CHG 2 1 -1 4 1 M END $$$$