BUFJ45 -OEChem-04022116093D 45 48 0 0 0 0 0 0 0999 V2000 5.4409 -0.0111 0.2926 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4810 -0.2704 2.4257 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8868 0.9247 0.1046 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5865 -2.4980 -0.4283 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7315 -4.3680 -0.6846 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6836 2.0013 2.0549 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9544 1.4601 1.9961 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9218 1.7489 -1.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8141 2.5127 -0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7696 1.9515 0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.4771 -0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3918 2.9821 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 2.7026 1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3441 1.2796 -2.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1026 2.7846 -0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6278 1.5592 -3.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0968 1.6639 0.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5054 2.3103 -2.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0283 0.8410 0.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5933 -2.4444 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9439 -2.6699 0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2185 -1.4846 1.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9197 -1.9354 0.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1942 -0.7500 2.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5447 -0.9754 1.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -3.2268 -0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9336 -0.6401 -1.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6592 -3.1429 -1.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7719 -1.5273 -1.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 -2.2553 -1.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0412 0.8870 -1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0615 3.5701 1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 3.0813 2.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6756 0.6896 -3.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8053 3.3692 -0.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9423 1.1898 -3.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5048 2.5273 -2.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2522 -3.4119 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1744 -1.2956 1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9712 -2.1099 0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9029 -0.0038 2.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7849 -1.1768 -1.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7199 0.2112 -1.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3364 -3.4213 -2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9328 -4.0546 -0.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 27 1 0 0 0 0 2 25 1 0 0 0 0 3 17 1 0 0 0 0 3 19 1 0 0 0 0 4 26 1 0 0 0 0 4 28 1 0 0 0 0 5 26 2 0 0 0 0 6 7 1 0 0 0 0 6 17 2 0 0 0 0 7 19 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 14 2 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 18 37 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 27 29 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 30 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 30 3 0 0 0 0 M END $$$$