B2JR3T -OEChem-04022106093D 36 37 0 0 0 0 0 0 0999 V2000 -4.6318 -0.5918 0.3255 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9523 -1.8233 -0.3616 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5710 0.5055 0.3998 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2719 2.1933 -0.0096 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 0.0004 -0.2738 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4339 0.7956 -0.7076 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8177 0.1029 -0.8541 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5817 1.1780 0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0927 -1.0337 -0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4611 1.7884 -0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9492 -0.4338 -1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9248 1.1066 -0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1312 -0.9992 1.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0794 -0.1833 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8535 -1.2312 -0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5478 0.5832 0.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0956 -1.5128 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7901 0.3016 1.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5640 -0.7464 0.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1815 0.8699 1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 1.9321 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5101 -1.8775 -1.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7028 -1.4025 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8536 2.1649 -1.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 2.6398 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1808 -1.1978 -1.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3002 -0.1548 -2.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9934 -1.4586 2.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3158 -1.7221 1.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8627 -0.0965 2.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5527 -0.5172 -1.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5003 -1.8362 -1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9827 1.3910 1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6981 -2.3290 -0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 0.8938 2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5305 -0.9666 1.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 13 1 0 0 0 0 4 12 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 M END $$$$