D04RQG -OEChem-10101305032D 29 31 0 1 0 0 0 0 0999 V2000 4.9889 -2.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.1233 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2619 -0.6815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 2.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 2.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 0.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 1.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 1.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 1.1611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -0.6815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 2.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -0.0536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 3.0260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 0.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5311 1.8203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 4 6 1 0 0 0 0 4 9 2 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 M END $$$$