BA5I4J -OEChem-04022118433D 39 41 0 0 0 0 0 0 0999 V2000 -1.3370 -1.1673 0.4739 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0948 0.0323 -0.1462 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -1.2932 0.3699 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6289 0.7472 -0.0398 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8463 -0.0668 0.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3501 -0.8148 -0.8888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6877 1.1901 0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8386 -1.1398 -0.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1756 0.8617 0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6706 0.1106 -0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3696 0.2941 0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3066 -0.4939 0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5164 -0.5161 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0032 0.7530 -0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8814 -0.8053 0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8898 1.8081 -0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7494 0.2566 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 1.5409 -0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5313 -1.2975 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9775 -0.7182 1.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1793 -0.2065 -1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8004 -1.7515 -1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3636 1.6743 1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5315 1.9160 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9987 -1.8645 0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1767 -1.6157 -1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7494 1.7872 0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3554 0.2537 1.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7219 -0.1676 -0.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6247 0.7726 -1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0874 1.0406 0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 0.7207 -0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4069 -2.2810 0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 -1.8209 0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5229 2.8095 -0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9592 2.3508 -0.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6251 -1.2954 0.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1774 -2.0011 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2630 -1.6122 1.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 17 1 0 0 0 0 2 19 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 33 1 0 0 0 0 4 12 2 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 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 15 17 2 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 M END $$$$