B5MGK3 -OEChem-04022100462D 40 43 0 0 0 0 0 0 0999 V2000 2.9789 -3.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5951 3.1850 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.6293 1.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8507 -0.3244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 -1.4486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3760 1.0768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7111 2.1917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3507 -1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6597 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0356 -2.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3507 -1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6751 -0.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0562 -2.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9731 0.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6657 -2.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0263 -0.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9205 0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 -2.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3233 -1.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9544 1.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9090 1.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3761 1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5057 -2.9697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2620 -3.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0746 -3.0590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6699 -2.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8507 0.2956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8641 -3.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8415 -0.0881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4263 0.2361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7174 -1.3173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7560 2.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3689 1.6852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7561 1.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3832 0.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1266 -2.3739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 -2.8542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 -3.5878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 24 1 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 29 1 0 0 0 0 5 12 2 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 21 1 0 0 0 0 6 23 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 14 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 31 1 0 0 0 0 18 22 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M CHG 2 2 -1 7 1 M END $$$$