L85EIO -OEChem-05022323312D 68 71 0 1 0 0 0 0 0999 V2000 16.8379 -1.6359 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 -0.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 2.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6564 2.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9244 2.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9244 -0.0427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -2.0427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.5427 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 15.0583 -1.5427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1923 -2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -1.5427 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 15.9244 -2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 -0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9244 0.9573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0289 -3.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7904 1.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0070 -3.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5070 -2.3791 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 15.0583 1.4573 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 16.7904 2.4573 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 8.9962 -3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -3.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.0427 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 3.8000 -2.0427 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 2.9061 -3.5773 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 2.0000 -3.0635 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 15.0583 -2.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7938 -2.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5908 -2.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7248 -1.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9278 -1.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0617 -2.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8588 -2.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9928 -1.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1957 -1.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4613 -0.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3874 0.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5681 -3.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -2.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0024 0.8747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4010 1.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2592 -3.8115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1236 -2.3143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5214 1.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -3.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 -1.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -4.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6564 3.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.7327 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 2.9132 -0.8880 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 1.4643 -1.7098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 23 1 0 0 0 0 2 17 2 0 0 0 0 3 24 2 0 0 0 0 4 25 2 0 0 0 0 5 27 1 0 0 0 0 5 63 1 0 0 0 0 6 27 2 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 17 1 0 0 0 0 19 8 1 6 0 0 0 8 50 1 0 0 0 0 9 18 1 0 0 0 0 9 24 1 0 0 0 0 9 53 1 0 0 0 0 10 33 2 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 2 0 0 0 0 12 13 1 6 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 18 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 20 2 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 19 51 1 0 0 0 0 20 22 1 0 0 0 0 20 52 1 0 0 0 0 21 27 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 23 2 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 24 26 1 0 0 0 0 25 58 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 28 30 1 0 0 0 0 28 59 1 0 0 0 0 29 31 2 0 0 0 0 29 60 1 0 0 0 0 30 32 2 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 37 2 0 0 0 0 35 38 2 0 0 0 0 36 64 1 0 0 0 0 37 39 1 0 0 0 0 37 65 1 0 0 0 0 38 40 1 0 0 0 0 38 66 1 0 0 0 0 39 40 2 0 0 0 0 39 67 1 0 0 0 0 40 68 1 0 0 0 0 M END $$$$