B2VGP3 -OEChem-04022104243D 44 46 0 0 0 0 0 0 0999 V2000 -7.9357 -0.0299 -0.3219 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2643 0.0494 0.3852 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4965 -1.2654 0.2072 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5077 1.2503 0.0714 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 0.0531 0.8760 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9153 -0.1202 -2.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2261 -0.0055 0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 -0.0126 -0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4909 -0.0202 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9096 0.0374 0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 0.0143 -0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5003 0.0334 0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5390 -1.2021 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5473 1.2106 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1728 -1.1826 0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1812 1.2301 0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3302 -0.0331 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1006 0.0968 1.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9414 -0.0448 -1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 0.0854 1.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 1.1829 -0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1415 -1.2308 -0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3155 0.0017 -0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5354 1.1754 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4977 -1.2382 0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1947 -0.0352 0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8283 0.8581 -1.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8082 -0.9298 -1.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0461 -2.1608 0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0609 2.1540 -0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6449 -2.1194 0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6597 2.1818 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8948 -0.0789 -1.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5467 0.1522 2.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5035 -0.0997 -2.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1067 0.1327 2.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6754 2.1318 -0.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6083 -2.1740 -0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7182 -0.0544 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0779 2.1121 0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0108 -2.1807 0.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2506 -0.0411 0.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2015 -1.0063 -2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2074 0.7131 -2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 5 12 1 0 0 0 0 5 23 2 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 21 2 0 0 0 0 9 22 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 19 2 0 0 0 0 11 20 1 0 0 0 0 11 23 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 14 16 2 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 24 1 0 0 0 0 21 37 1 0 0 0 0 22 25 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$