B7U5NL -OEChem-04012119002D 41 43 0 1 0 0 0 0 0999 V2000 4.8479 1.5023 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 -0.5668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -5.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -5.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.8455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 3.2249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4466 2.5204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 0.6933 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2601 0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -2.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -2.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -3.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -3.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 2.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -3.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -4.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6222 4.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 4.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 4.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8032 5.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2209 5.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8087 5.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8724 0.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 1.3099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 0.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -2.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -2.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -3.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -3.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1944 3.0868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0822 2.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8266 4.8826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2632 3.7414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1676 6.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6043 5.2213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5565 6.5319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -5.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 20 1 0 0 0 0 4 41 1 0 0 0 0 5 20 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 18 2 0 0 0 0 7 21 1 0 0 0 0 8 18 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 15 17 2 0 0 0 0 15 31 1 0 0 0 0 16 19 2 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 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$