BB9IS4 -OEChem-04012112553D 77 80 0 1 0 0 0 0 0999 V2000 2.7772 2.5895 -0.2128 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1215 -4.5263 0.4897 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9817 -3.7545 -1.0278 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3668 3.4412 -1.3129 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5424 3.1394 0.8897 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8456 0.6391 0.6789 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1346 2.1091 -0.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5308 -4.3702 0.5091 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5952 1.2324 -0.8233 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3644 -1.6306 -0.2473 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4556 -0.0537 -2.7993 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6757 1.2550 -1.2667 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3696 -3.8847 -0.7006 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7622 -3.3412 -0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -2.8042 -1.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 -2.5491 -1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7064 -2.0378 -1.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7916 -3.4284 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2565 -1.2315 -2.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5588 0.5034 0.0363 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6314 -0.9538 -0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1697 -2.9564 -0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3252 1.8585 0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0536 2.0037 1.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4504 1.1374 -0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9677 0.7069 1.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 1.4280 2.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 0.5616 0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8985 1.1825 -0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9678 2.7682 2.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7092 0.9599 -1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1567 0.1094 2.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6657 1.1582 -2.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3488 0.8327 2.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1115 -1.1899 2.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8147 2.2022 -2.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4953 0.2569 2.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2581 -1.7658 3.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4500 -1.0423 3.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0129 3.4242 -1.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8376 2.4581 -0.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0414 3.5629 -0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3918 -4.6391 -1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7544 -2.7103 0.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4383 -4.1734 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8085 -2.6601 -2.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4252 -1.8574 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6173 -1.7116 -1.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2853 -3.1941 -2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3702 -2.8919 -1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7207 -1.4271 -0.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3092 -0.9765 -2.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 -1.8508 -3.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2452 0.5736 1.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3738 -1.5079 0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9281 -1.0404 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7422 1.1543 -1.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5856 -1.0993 0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6165 -0.1563 -3.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3074 1.5388 3.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3842 0.0072 -0.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5426 2.8098 3.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0524 3.8197 2.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 2.2631 2.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1264 0.4353 -2.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5852 0.3360 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7895 1.9138 -2.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3951 1.8514 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1885 -1.7649 2.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0147 2.0903 -3.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7156 1.0788 0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4224 0.8214 2.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2224 -2.7771 3.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3425 -1.4905 3.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3663 4.2666 -2.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6531 2.5139 0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2136 4.5057 -0.4204 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 9 1 0 0 0 0 1 23 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 22 2 0 0 0 0 6 29 1 0 0 0 0 6 71 1 0 0 0 0 7 29 2 0 0 0 0 8 18 2 0 0 0 0 9 20 1 0 0 0 0 9 57 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 58 1 0 0 0 0 11 19 1 0 0 0 0 11 33 1 0 0 0 0 11 59 1 0 0 0 0 12 33 1 0 0 0 0 12 41 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 18 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 22 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 30 1 0 0 0 0 25 28 2 0 0 0 0 25 31 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 34 2 0 0 0 0 32 35 1 0 0 0 0 33 36 2 0 0 0 0 34 37 1 0 0 0 0 34 68 1 0 0 0 0 35 38 2 0 0 0 0 35 69 1 0 0 0 0 36 40 1 0 0 0 0 36 70 1 0 0 0 0 37 39 2 0 0 0 0 37 72 1 0 0 0 0 38 39 1 0 0 0 0 38 73 1 0 0 0 0 39 74 1 0 0 0 0 40 42 2 0 0 0 0 40 75 1 0 0 0 0 41 42 1 0 0 0 0 41 76 1 0 0 0 0 42 77 1 0 0 0 0 M END $$$$