B3OSQ9 -OEChem-04022106092D 30 32 0 1 0 0 0 0 0999 V2000 5.3906 3.6126 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.2238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 0.8819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1126 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 -0.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 1.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 2.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1996 2.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7215 2.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3041 3.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2121 0.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.7202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3356 -1.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 -0.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6604 1.7965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1049 2.9342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8411 3.5158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 1 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 10 13 1 0 0 0 0 10 23 1 0 0 0 0 11 14 2 0 0 0 0 11 24 1 0 0 0 0 12 17 2 0 0 0 0 12 25 1 0 0 0 0 13 16 2 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 M END $$$$