B8FHY2 -OEChem-04042104343D 39 42 0 0 0 0 0 0 0999 V2000 -4.1462 1.6784 1.0860 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3469 -0.0951 0.7762 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6795 1.3047 2.4138 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8619 2.9326 0.8979 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2111 3.8453 -0.1605 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5557 0.0204 -0.2879 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 1.9660 -0.2197 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2578 1.8819 0.2983 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0962 0.4051 0.4570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0008 -4.7673 -0.6361 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4711 -1.4074 -0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8026 0.6649 -0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6187 -2.1419 0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5853 0.8335 -0.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0141 -0.1366 0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8978 -1.4600 0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7216 -2.1205 -0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6737 0.8563 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -3.5356 0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7841 1.6487 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6075 1.6031 -1.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 0.5128 0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7773 -3.5081 -0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3579 -4.2145 0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8063 2.4184 -1.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 2.3954 -2.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1234 2.6222 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 -4.2030 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7497 -2.0753 0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6249 -1.6093 -0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6482 0.2631 1.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4362 -4.1053 0.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2254 1.5863 -2.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3307 -5.2943 0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6634 3.0373 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 2.9908 -2.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 2.4032 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9671 0.6543 -0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1596 -0.4597 1.0079 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 9 1 0 0 0 0 1 20 1 0 0 0 0 2 22 2 0 0 0 0 5 27 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 12 2 0 0 0 0 7 27 1 0 0 0 0 8 22 1 0 0 0 0 8 27 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 28 3 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 14 18 2 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 29 1 0 0 0 0 17 23 2 0 0 0 0 17 30 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 19 24 2 0 0 0 0 19 32 1 0 0 0 0 20 25 2 0 0 0 0 21 26 2 0 0 0 0 21 33 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 34 1 0 0 0 0 25 26 1 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 M END $$$$