BS1R6Q -OEChem-04042103223D 49 53 0 0 0 0 0 0 0999 V2000 -4.9064 -2.0173 0.5018 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4874 1.6214 0.8759 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4552 4.4037 0.1222 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1272 0.0429 0.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7187 0.0557 -0.7854 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8573 0.6657 -1.7764 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4658 1.7124 -0.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2368 0.5722 -0.1777 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4876 -0.0786 -0.9871 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3473 2.2706 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3297 3.6218 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5303 2.5372 1.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6501 3.6187 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0249 2.1292 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3072 -2.4542 -0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8275 1.5198 0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4309 -2.7893 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -2.2800 0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 4.2337 -0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0474 3.4852 -0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2573 -2.1200 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4977 -2.9557 0.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9069 -2.9702 -0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6262 -2.2876 -1.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8666 -3.1233 0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2424 1.3567 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4169 -1.2726 -0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4068 -3.1199 1.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7859 -1.1048 -0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4143 -0.3767 0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7758 -2.9521 1.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4655 -1.9446 0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 1.9695 1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3114 2.9602 2.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8252 3.1957 -0.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4812 4.2903 0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7826 0.4690 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8954 5.2871 -0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9715 3.9788 -0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3328 -1.7562 -2.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1081 -3.2026 1.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1959 -2.6633 -1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1606 -4.0314 -0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0516 -2.0284 -2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4755 -3.5219 1.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8898 -0.5918 -1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9186 -3.9370 1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3065 -3.6103 1.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5318 -1.8442 0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 30 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 26 1 0 0 0 0 4 30 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 26 2 0 0 0 0 8 30 2 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 14 26 1 0 0 0 0 15 18 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 37 1 0 0 0 0 17 23 1 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 18 27 2 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 24 1 0 0 0 0 21 40 1 0 0 0 0 22 25 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 27 29 1 0 0 0 0 27 46 1 0 0 0 0 28 31 2 0 0 0 0 28 47 1 0 0 0 0 29 32 2 0 0 0 0 31 32 1 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$