B4REL1 -OEChem-04022117103D 39 42 0 0 0 0 0 0 0999 V2000 1.6863 2.4686 1.1784 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8466 2.0383 -0.0392 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8717 0.4877 -0.4352 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0942 -0.8425 -0.4532 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0298 1.3868 1.3225 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4912 -1.7370 2.1464 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -1.7066 -0.3943 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2689 -2.0613 -0.9862 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7364 0.2170 -1.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2723 0.1376 -1.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3037 -0.4402 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6904 -0.3249 0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5319 0.9751 -2.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 1.0156 -0.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9529 1.0127 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4813 0.4405 -0.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2503 0.5883 0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5331 -1.2072 0.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9013 1.0865 -1.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7954 -0.6395 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2183 -0.9919 1.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1675 -1.8248 1.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2123 0.0581 -0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3093 2.4069 1.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0259 -2.5436 -0.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0738 0.4631 -2.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9425 -0.9079 -1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0996 1.4890 -2.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5519 0.5382 -0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0898 -0.3725 -0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4629 -1.3419 0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5181 1.6775 -2.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2785 -0.9444 1.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6043 -2.4274 2.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4744 0.1250 0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0617 -0.3313 -0.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9306 1.0362 -0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7117 3.1699 2.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 -3.5362 -1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 24 1 0 0 0 0 2 14 2 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 30 1 0 0 0 0 4 8 1 0 0 0 0 4 20 1 0 0 0 0 4 23 1 0 0 0 0 5 17 1 0 0 0 0 5 24 2 0 0 0 0 6 21 2 0 0 0 0 6 22 1 0 0 0 0 7 20 2 0 0 0 0 7 25 1 0 0 0 0 8 25 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 16 1 0 0 0 0 12 21 1 0 0 0 0 13 19 1 0 0 0 0 13 28 1 0 0 0 0 15 17 2 0 0 0 0 16 19 2 0 0 0 0 16 29 1 0 0 0 0 17 20 1 0 0 0 0 18 22 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$