D00VXE -OEChem-10101305022D 51 56 0 0 0 0 0 0 0999 V2000 4.6660 -3.4128 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.0872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.4128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2231 2.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3683 2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6959 2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6959 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3683 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2231 1.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3175 3.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2051 3.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -1.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -3.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -1.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -2.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3573 3.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3138 3.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1034 2.7183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5668 1.4093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8166 2.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5803 0.9874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9788 1.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0853 1.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4838 0.9874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6863 2.6274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3982 3.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6269 3.9847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7923 3.7770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 3.3358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1621 3.3358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.7582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -0.7582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -4.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -4.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -1.5799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.5799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -3.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 15 2 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 3 43 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 28 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 30 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 16 18 1 0 0 0 0 16 21 2 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 23 2 0 0 0 0 19 22 2 0 0 0 0 20 24 1 0 0 0 0 20 44 1 0 0 0 0 21 25 1 0 0 0 0 21 45 1 0 0 0 0 22 26 1 0 0 0 0 22 46 1 0 0 0 0 23 27 1 0 0 0 0 23 47 1 0 0 0 0 24 26 2 0 0 0 0 24 49 1 0 0 0 0 25 27 2 0 0 0 0 25 48 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 M END $$$$