B45TDH -OEChem-04022118453D 41 42 0 1 0 0 0 0 0999 V2000 -3.3509 -2.1362 -1.0511 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1013 1.2726 1.7256 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2515 -3.3934 -1.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2579 -1.0847 -1.4621 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4313 0.7082 2.8815 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8604 2.5022 1.8503 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2204 3.2712 -0.5249 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7643 -2.9123 0.7379 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8767 -1.3892 -0.5458 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0899 0.0925 1.0121 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5091 -1.2174 0.6203 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7084 -1.4473 -0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2486 -2.3498 1.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 -2.4770 0.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1126 1.5415 0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0926 2.5072 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2619 0.7668 0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2313 0.9636 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8767 2.7038 -1.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0387 1.9321 -1.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 0.1591 -0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3273 2.7713 -1.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5911 -1.0293 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8742 -1.7553 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4511 -1.2675 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0055 -2.2018 -1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6248 -0.5426 -1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3433 -2.1741 2.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6944 -3.2866 1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0469 -3.4755 0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3178 -1.7285 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0098 0.3405 0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4076 0.0395 1.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 3.4563 -2.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7822 2.0990 -2.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2764 0.5690 -1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4112 1.6838 -1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2213 3.0727 -2.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2423 3.2162 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -1.5056 0.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5941 -3.4350 0.7144 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 12 1 0 0 0 0 1 14 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 10 1 0 0 0 0 2 15 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 8 24 1 0 0 0 0 8 41 1 0 0 0 0 9 24 2 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$