B4JM2Q -OEChem-04022109322D 45 49 0 1 0 0 0 0 0999 V2000 5.7690 -2.2959 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -1.4299 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -3.1619 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.6619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.1619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2635 0.4067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.6619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -4.6619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0016 -4.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7690 -2.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -2.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -2.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2918 4.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 5.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6986 5.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -1.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3963 3.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8622 1.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6054 1.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5009 2.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4714 1.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5599 -2.9258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5599 -5.3981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -4.6369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -3.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -1.4299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 4.7714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5331 6.2734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1468 5.4056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3001 5.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7418 6.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -1.4299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 -0.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2558 1.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0378 1.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 3 17 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 5 12 1 0 0 0 0 5 15 2 0 0 0 0 6 15 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 25 1 0 0 0 0 8 28 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 6 0 0 0 10 11 1 0 0 0 0 10 30 1 6 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 1 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 14 33 1 0 0 0 0 16 18 2 0 0 0 0 16 34 1 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 27 3 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 45 1 0 0 0 0 M END $$$$