BOHA86 -OEChem-04012114193D 50 53 0 0 0 0 0 0 0999 V2000 4.3116 0.7439 -1.5361 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0386 -2.8092 0.5217 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.4161 -0.5707 0.7360 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8557 -0.1149 -2.5664 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2179 2.1751 -1.7315 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3762 1.5224 -0.3743 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1270 0.4354 -0.0615 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2428 -0.4582 -0.2011 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5979 -0.7217 0.2341 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -0.9914 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8116 1.3595 1.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4906 -1.3214 1.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0891 1.9398 1.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8214 -0.4674 2.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2334 0.9593 1.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7013 0.1448 -1.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3907 -1.1828 -1.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7749 1.0126 -0.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1181 -1.6562 -1.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5024 0.5393 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1741 -0.7951 -0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1362 -1.2827 -0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3677 -2.5903 0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3022 -1.1564 0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0826 0.5803 -0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5269 0.7649 0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2427 1.8958 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6120 1.6721 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8447 0.3730 0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0872 -1.6569 -0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3271 -1.2193 1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 0.8403 1.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1834 2.1955 0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3067 -1.2416 0.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4576 -2.3729 1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8272 2.4400 2.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4671 2.7300 0.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6726 -0.9408 2.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9932 -0.4710 2.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8406 1.3689 2.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8959 0.9362 1.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1054 -1.8690 -1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0086 2.0545 -0.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8941 -2.6970 -1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 1.2284 0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6783 -3.4153 0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2653 -1.4310 0.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8421 2.8447 -0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3871 2.4257 0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7854 -0.0670 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 26 1 0 0 0 0 3 29 1 0 0 0 0 6 25 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 22 1 0 0 0 0 8 24 2 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 47 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 18 20 2 0 0 0 0 18 43 1 0 0 0 0 19 21 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 46 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 M END $$$$