B3ATU1 -OEChem-04042102423D 20 20 0 0 0 0 0 0 0999 V2000 2.7153 0.2500 0.1398 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 2.0036 0.0334 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7928 -0.3681 0.5308 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9821 0.4099 -0.5496 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1671 1.3313 0.9343 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5526 -0.3369 -0.9870 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1793 -0.3448 -0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5165 0.8574 -0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4667 -1.5549 -0.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8777 -1.1738 1.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8584 0.8496 -0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8085 -1.5628 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5043 -0.3606 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8404 -1.1708 -1.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0311 1.8078 -0.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0659 -2.4976 -0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6536 -0.9577 1.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9299 -1.3573 1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 -2.0328 0.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3117 -2.5046 0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 3 13 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 M END $$$$