B05JNB -OEChem-04012114463D 45 48 0 1 0 0 0 0 0999 V2000 -2.2030 1.7822 3.9695 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9921 -0.1784 -1.4711 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0799 1.6035 -0.0398 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6293 -2.4376 0.4743 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9258 2.1768 1.3464 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -0.0745 2.0576 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2369 -2.4332 -2.2223 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7985 1.8694 -0.0979 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9933 0.4157 -0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1963 -0.4913 0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4654 2.3174 -0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3175 -1.7539 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1863 -1.5159 -1.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1181 1.2669 2.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6978 1.7436 -0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3811 3.3106 -1.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 2.1629 -0.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5251 -3.0775 0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8663 3.7301 -2.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0295 3.1561 -1.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5837 -4.0623 -0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9957 0.2488 0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 -0.4080 0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4374 -3.6904 -1.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 -1.8649 0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6637 -3.7958 0.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6142 2.4083 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8586 3.1557 1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3927 -0.7691 2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6156 0.9967 0.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2783 3.7671 -1.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6365 -3.3341 1.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 4.5034 -2.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9984 3.4868 -1.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7417 -5.1012 -0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -0.3229 -0.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6982 0.2339 1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6826 -0.3331 -0.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1146 0.1466 0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4815 -4.4481 -2.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 -2.4244 0.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 -1.9333 1.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 -4.1838 0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4391 -3.8753 1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9543 -4.3937 0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 17 1 0 0 0 0 3 22 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 28 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 29 1 0 0 0 0 7 13 1 0 0 0 0 7 24 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 10 12 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 16 31 1 0 0 0 0 17 20 2 0 0 0 0 18 21 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 24 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$