L3JHS6 -OEChem-05022323352D 59 61 0 1 0 0 0 0 0999 V2000 12.5648 3.0372 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -2.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 -2.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -2.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 0.5081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 0.0427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.0427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.5427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.5427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7282 2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -0.9573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3738 1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -1.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0429 2.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5429 3.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -1.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -2.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 3.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 2.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1267 2.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3297 2.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4637 1.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2607 1.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 2.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 2.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7316 1.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5287 1.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 0.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 -0.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5027 1.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9369 -1.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5383 -0.8747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6595 2.3143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7951 3.8115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0573 -1.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 3.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 4.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 4.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.7098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 3.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 -3.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3843 0.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 22 1 0 0 0 0 2 16 2 0 0 0 0 3 23 2 0 0 0 0 4 24 2 0 0 0 0 5 26 1 0 0 0 0 5 58 1 0 0 0 0 6 26 2 0 0 0 0 7 31 1 0 0 0 0 7 59 1 0 0 0 0 8 16 1 0 0 0 0 18 8 1 1 0 0 0 8 44 1 0 0 0 0 9 17 1 0 0 0 0 9 23 1 0 0 0 0 9 47 1 0 0 0 0 10 25 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 1 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 17 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 19 2 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 20 26 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 23 25 1 0 0 0 0 24 52 1 0 0 0 0 25 28 1 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 28 30 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 30 54 1 0 0 0 0 31 33 2 0 0 0 0 32 34 2 0 0 0 0 32 55 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 M END $$$$