LL6R9S -OEChem-05032301513D 29 30 0 0 0 0 0 0 0999 V2000 -5.1052 0.0009 0.2246 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7461 -0.0023 -1.2796 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4738 -1.2630 0.8456 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4461 1.2655 0.8577 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8556 -0.0029 -0.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7736 -0.0006 -0.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3582 0.0019 0.5249 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3757 0.0008 -0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6845 1.2086 -0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6848 -1.2075 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6187 -0.0001 -0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3027 1.2080 -0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3028 -1.2079 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7438 0.0012 0.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4354 1.2084 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4338 -1.2076 0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5073 -0.0015 -0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8171 1.2071 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8156 -1.2089 0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2019 2.1619 -0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2029 -2.1600 -0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7722 2.1533 -0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7724 -2.1536 -0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9066 2.1553 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9038 -2.1536 0.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3442 2.1545 -0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3476 -2.1536 -0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5247 -0.7889 -1.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1683 0.9171 -0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 28 1 0 0 0 0 5 17 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 9 20 1 0 0 0 0 10 13 2 0 0 0 0 10 21 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 24 1 0 0 0 0 16 19 2 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 M END $$$$