B4ILN3 -OEChem-04012114572D 54 59 0 1 0 0 0 0 0999 V2000 5.5138 2.8273 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.1166 -1.7481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -2.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6641 1.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.7073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 1.3135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7923 -0.2314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -2.2073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 0.2585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3846 -1.7414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.2073 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3961 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0221 -0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 -0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0221 1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 0.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 0.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -1.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6602 0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -1.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5243 -0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -1.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5205 -1.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2564 -0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2525 -1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1841 -0.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7856 -0.8150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7856 -1.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1841 -2.2899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0150 -0.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5094 -0.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0150 2.4473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4639 1.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7899 -0.8514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 -1.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -1.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 0.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -2.3548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -1.5502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9823 -1.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7945 0.0631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 37 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 17 1 0 0 0 0 4 22 1 0 0 0 0 5 31 2 0 0 0 0 6 13 1 0 0 0 0 6 22 2 0 0 0 0 7 25 2 0 0 0 0 7 26 1 0 0 0 0 8 24 1 0 0 0 0 8 31 1 0 0 0 0 8 46 1 0 0 0 0 9 22 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 30 1 0 0 0 0 10 34 2 0 0 0 0 11 33 1 0 0 0 0 11 36 2 0 0 0 0 12 35 1 0 0 0 0 12 37 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 1 0 0 0 0 28 30 2 0 0 0 0 29 32 2 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 51 1 0 0 0 0 33 35 2 0 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 36 37 1 0 0 0 0 36 54 1 0 0 0 0 M END $$$$