B0ELI2 -OEChem-04012114582D 55 60 0 1 0 0 0 0 0999 V2000 14.9736 -0.5806 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3817 2.8273 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2585 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5320 1.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 -0.7073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6602 -0.2314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -2.2073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 -1.7348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4930 -1.2330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.2073 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2641 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8901 -0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3701 -0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 -1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8901 1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7961 0.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3701 1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7961 1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -0.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5282 0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 -1.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 -0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -1.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3074 0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4703 -1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8735 -2.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0520 -0.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6535 -0.8150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6535 -1.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0520 -2.2899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8829 -0.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3773 -0.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8829 2.4473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3319 1.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6578 -0.8514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 -1.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7296 0.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1420 -1.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3361 -1.5502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4386 0.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3062 -2.6098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1235 -2.9272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4409 -2.1098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 26 1 0 0 0 0 3 32 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 17 1 0 0 0 0 5 22 1 0 0 0 0 6 30 2 0 0 0 0 7 13 1 0 0 0 0 7 22 2 0 0 0 0 8 25 2 0 0 0 0 8 26 1 0 0 0 0 9 24 1 0 0 0 0 9 30 1 0 0 0 0 9 46 1 0 0 0 0 10 22 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 31 2 0 0 0 0 11 34 1 0 0 0 0 12 33 1 0 0 0 0 12 36 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 21 2 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 23 1 0 0 0 0 19 26 2 0 0 0 0 20 24 2 0 0 0 0 20 42 1 0 0 0 0 21 25 1 0 0 0 0 21 43 1 0 0 0 0 23 27 2 0 0 0 0 23 44 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 29 49 1 0 0 0 0 30 33 1 0 0 0 0 31 50 1 0 0 0 0 32 34 2 0 0 0 0 33 35 2 0 0 0 0 34 51 1 0 0 0 0 35 52 1 0 0 0 0 36 37 1 0 0 0 0 37 53 1 0 0 0 0 37 54 1 0 0 0 0 37 55 1 0 0 0 0 M END $$$$