LJST03 -OEChem-05032301363D 49 52 0 1 0 0 0 0 0999 V2000 -0.5577 -3.5339 -0.3841 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.5911 -3.7032 0.8325 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 2.3148 1.6012 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4183 3.4034 -1.4232 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2427 1.6740 0.4006 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9101 -1.0437 -0.1949 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6822 2.2053 -0.5593 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0560 2.4453 0.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4293 2.8196 0.7390 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6649 3.9690 -0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0315 3.7116 -1.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1883 1.9999 -0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5402 0.5729 -0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5372 1.5197 0.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7347 -0.3503 -1.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6714 0.1739 1.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2498 0.3003 0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 -0.9662 0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0608 -1.6723 -0.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9975 -1.1481 1.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 0.2214 0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7592 -1.7909 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1922 -2.0711 0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3893 -1.4920 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5794 -3.1201 -0.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1943 -2.8199 -0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -3.6197 -0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2024 1.3612 -1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1677 1.5536 1.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5907 3.2592 1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 3.1569 1.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8952 4.2272 -1.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8393 3.2550 -2.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7377 4.1552 -0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2349 4.8873 0.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 4.5964 -2.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4854 2.8615 -2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6681 2.2526 -1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6439 2.6772 0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 1.0431 -0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6321 -0.0526 -2.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5282 0.8837 1.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3995 0.9490 0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2078 -2.3811 -1.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 -1.4448 2.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8400 -1.3810 -0.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5367 -0.8948 0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4194 -3.7434 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1176 -4.6514 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 23 1 0 0 0 0 3 14 2 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 40 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 15 19 1 0 0 0 0 15 41 1 0 0 0 0 16 20 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 22 2 0 0 0 0 18 24 1 0 0 0 0 19 23 2 0 0 0 0 19 44 1 0 0 0 0 20 23 1 0 0 0 0 20 45 1 0 0 0 0 21 43 1 0 0 0 0 22 25 1 0 0 0 0 24 26 2 0 0 0 0 24 47 1 0 0 0 0 25 27 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 27 49 1 0 0 0 0 M CHG 1 4 1 M END $$$$