B3OSQ9 -OEChem-04042102333D 30 32 0 1 0 0 0 0 0999 V2000 -4.4351 2.2137 0.0056 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7821 -1.9873 0.1709 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4605 -0.1242 -0.0122 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4227 -1.2943 0.1256 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5681 -1.2091 -0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4822 -2.4871 -0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6535 -0.2747 -0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6490 -0.6345 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8612 0.1628 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5937 1.0674 -0.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6941 -0.7722 0.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2024 -0.3392 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5977 1.9321 -0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 0.0924 0.8119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8582 1.5468 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 1.4446 0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1472 0.6629 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7972 -1.3211 1.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 -0.8938 -1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0095 -2.2038 -1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4629 -2.8520 -1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2472 -3.3175 0.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7794 1.4575 -1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7397 -1.8230 0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4632 -1.3867 0.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5604 2.9849 -0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 -0.2870 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0043 2.2048 -0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4317 2.1177 0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2216 0.5584 0.2035 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 0 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 $$$$