BA12XG -OEChem-04022117253D 40 42 0 1 0 0 0 0 0999 V2000 -3.8019 3.1499 -0.5112 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2755 1.9944 1.2577 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8372 0.5134 -1.1658 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6485 1.2576 -0.9119 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8821 0.8923 0.9777 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4462 1.3447 1.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9616 -0.5739 0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5111 1.5328 -0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5233 -0.7313 -0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5744 1.0836 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5811 -1.6799 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7202 -1.9685 -1.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8685 1.5013 0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7698 -2.9454 0.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3334 -3.0880 -0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0574 1.5703 -0.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 0.4202 -0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2296 0.3096 0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3479 -0.5229 -1.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 -0.7590 1.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1325 -1.5915 -0.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4657 -1.7095 0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5124 1.1101 1.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4222 2.4134 1.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0266 0.8220 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9364 1.6345 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5543 0.0183 -0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2688 0.6444 -2.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1475 -1.5768 2.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 -2.0754 -2.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 -3.8317 1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -4.0824 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2284 0.8285 -1.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2544 2.4613 -0.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3046 1.8340 -1.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8883 1.0447 1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0929 -0.4419 -2.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2746 -0.8505 2.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4837 -2.3321 -1.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0766 -2.5415 0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 13 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 28 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 23 1 0 0 0 0 6 10 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 9 12 2 0 0 0 0 10 13 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$