B5UPY6 -OEChem-04012119132D 55 58 0 1 0 0 0 0 0999 V2000 8.1962 0.2933 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6995 -0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6928 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7884 1.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.2692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.7308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6602 0.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4038 -2.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 0.7966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 0.3000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9320 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -0.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -1.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -1.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -1.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7923 0.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6641 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8039 -2.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5320 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6718 -2.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5359 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6525 2.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6487 3.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3925 -0.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3211 -0.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7222 -1.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0579 1.4166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 0.9238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -1.5637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -2.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6617 -0.0733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2681 -2.5087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.9238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.5637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0678 -0.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6742 -3.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8668 1.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2627 2.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2687 3.3090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6463 3.9266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0287 3.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4062 -3.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 4 23 1 0 0 0 0 4 33 1 0 0 0 0 5 19 2 0 0 0 0 6 22 2 0 0 0 0 7 23 2 0 0 0 0 8 32 1 0 0 0 0 8 55 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 35 1 0 0 0 0 11 16 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 15 39 1 0 0 0 0 16 24 2 0 0 0 0 16 25 1 0 0 0 0 17 21 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 26 2 0 0 0 0 20 22 1 0 0 0 0 20 27 2 0 0 0 0 21 41 1 0 0 0 0 24 30 1 0 0 0 0 24 42 1 0 0 0 0 25 31 2 0 0 0 0 25 43 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 27 29 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 30 32 2 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0 33 34 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$