B8EFQ5 -OEChem-04022103253D 55 58 0 0 0 0 0 0 0999 V2000 2.6678 4.0439 -0.5182 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1201 -2.5384 -0.7624 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8544 4.2965 -1.3279 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 4.8425 -0.7668 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4425 -0.0660 -2.3456 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9872 -1.9681 -1.3946 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9952 -1.5554 -1.0368 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0932 4.1809 1.1528 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8754 0.3793 -0.1666 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 -0.4765 0.4473 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7714 -0.7347 -1.3377 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5821 -0.3121 -0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5781 0.5971 -0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6908 -2.7832 -1.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -0.1436 -0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3413 -1.4637 -0.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2405 2.3581 -0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 1.9581 -0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9113 0.0732 -1.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2217 1.4284 -1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4895 -3.3428 -0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8588 -3.5660 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8584 -3.6371 0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4366 3.6974 1.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0523 3.8437 2.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5971 -4.0836 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5965 -4.1546 2.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 -4.3780 1.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8189 0.0517 0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9044 -0.0711 -0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9729 0.7069 2.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1439 0.4614 0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2124 1.2394 2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2981 1.1166 1.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -2.5723 -2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9631 -3.5315 -1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1447 2.6749 -0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6832 -0.6401 -1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 1.7364 -1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3638 -3.3420 -1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 -3.4810 1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0219 -2.2424 -0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4714 2.6046 1.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6697 4.0593 2.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2066 4.0895 0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9877 2.7623 2.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3001 4.3175 3.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0776 4.2312 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6633 -4.2576 0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1049 -4.3860 3.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5406 -4.7815 2.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1338 0.8074 2.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9993 0.3736 -0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3324 1.7495 3.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2632 1.5313 1.7660 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 8 1 0 0 0 0 1 17 1 0 0 0 0 2 16 1 0 0 0 0 2 42 1 0 0 0 0 5 11 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 21 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 26 1 0 0 0 0 22 40 1 0 0 0 0 23 27 2 0 0 0 0 23 41 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 28 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 31 33 1 0 0 0 0 31 52 1 0 0 0 0 32 34 1 0 0 0 0 32 53 1 0 0 0 0 33 34 2 0 0 0 0 33 54 1 0 0 0 0 34 55 1 0 0 0 0 M CHG 2 5 -1 11 1 M END $$$$