B4XD6J -OEChem-04012113343D 37 38 0 1 0 0 0 0 0999 V2000 -4.3550 -0.8560 1.2663 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.1150 -1.1734 0.0268 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0574 3.0966 1.3169 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9263 0.8316 -1.2641 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 0.5396 0.6762 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2738 3.1898 -0.6594 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9161 -0.0355 0.6575 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5535 0.0734 -1.0295 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8775 -0.2299 -1.1455 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5707 1.0291 0.1604 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7747 0.3979 0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0869 -0.9900 0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5769 2.5416 0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4907 -2.0840 0.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9644 -1.1463 -0.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8482 0.4785 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -3.3666 0.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 -2.4291 -1.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6604 -3.5393 -0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4738 4.6207 -0.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1723 -0.2073 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5147 -0.7416 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6018 0.8131 -0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6664 1.0245 0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6162 0.3700 1.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2561 0.3052 1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 -1.9606 1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4288 -0.2878 -1.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7085 2.6409 -1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3177 -4.2311 0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9385 -2.5634 -1.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8849 -4.5380 -0.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7411 -0.2966 1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4846 4.8326 -0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7446 5.1328 -0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 4.9573 -1.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3209 -0.0616 -2.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 22 2 0 0 0 0 3 13 2 0 0 0 0 4 16 2 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 5 26 1 0 0 0 0 6 13 1 0 0 0 0 6 20 1 0 0 0 0 6 29 1 0 0 0 0 7 16 1 0 0 0 0 7 21 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 22 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 17 1 0 0 0 0 14 27 1 0 0 0 0 15 18 2 0 0 0 0 15 28 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 M END $$$$