B3IU2G -OEChem-04012113013D 48 51 0 0 0 0 0 0 0999 V2000 2.5561 0.4441 -1.0669 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5154 2.6387 -1.2427 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7156 1.1209 -1.6287 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4396 0.0859 -1.9296 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3733 -0.1532 0.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9873 1.3418 0.2827 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3042 3.7593 -1.1844 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2899 -1.9208 -0.4678 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1048 -1.0240 -0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2089 -1.9361 0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7795 -1.7176 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4772 -1.2666 -0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 -3.0918 0.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0558 2.4478 -0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -1.0238 1.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0289 -2.1997 -0.8307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6416 3.3874 0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9769 -1.2940 0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9570 -2.4219 0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0642 -3.3344 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2262 -0.8120 1.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3494 -1.9878 -0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2129 4.1892 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3955 -1.0753 0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9897 3.5454 2.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9677 5.3821 0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0411 -0.0019 0.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4411 -1.3250 -0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7870 -1.7567 -0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6047 1.4936 1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2007 -0.5768 -0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0116 -3.8154 1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7204 -0.6475 2.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5018 -2.7443 -1.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0256 -2.6108 0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4378 -4.2338 1.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6855 -0.2769 2.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -2.3693 -1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0124 3.9225 2.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3193 4.2454 2.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9236 2.5872 2.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2971 6.1298 0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4873 5.8526 -0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7193 5.1161 1.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7549 0.8862 1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4270 -1.8976 0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2497 -1.0097 -1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7421 -2.7041 -1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 14 1 0 0 0 0 6 30 1 0 0 0 0 7 23 2 0 0 0 0 8 24 1 0 0 0 0 8 28 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 19 1 0 0 0 0 12 31 1 0 0 0 0 13 20 1 0 0 0 0 13 32 1 0 0 0 0 14 17 2 0 0 0 0 15 21 1 0 0 0 0 15 33 1 0 0 0 0 16 22 2 0 0 0 0 16 34 1 0 0 0 0 17 23 1 0 0 0 0 17 25 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 26 1 0 0 0 0 24 27 2 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M END $$$$