B49DVK -OEChem-04012115013D 39 42 0 0 0 0 0 0 0999 V2000 2.4587 1.7326 0.1061 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5283 -0.5236 0.0207 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9214 0.7301 0.6469 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0479 -1.7834 0.5324 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9786 -1.5556 -1.0343 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.4838 -2.6165 0.8229 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0789 0.9871 0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5956 -0.6952 -0.0075 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 0.0534 0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8574 -0.4324 -1.6530 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1911 -1.8074 -0.0904 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5858 4.1324 0.1967 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6353 0.4732 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9813 -0.7612 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7824 -0.6095 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2151 0.5597 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0360 0.5707 0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1671 0.7766 0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 -1.9384 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1545 -1.8488 -0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4489 0.1179 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5508 2.2656 0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9204 2.1610 0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3418 0.3838 -1.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7964 -0.7856 1.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5820 -0.2533 -1.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0367 -1.4228 0.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9295 -1.1566 -0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8372 3.2463 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5140 1.5447 0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -2.9115 -0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7303 -2.7693 -0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0808 3.1432 0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0871 1.0794 -1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1147 -1.0031 1.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2515 -0.0231 -1.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2736 -2.1202 1.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1955 0.4637 -2.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2805 -1.2543 -2.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 10 1 0 0 0 0 2 15 1 0 0 0 0 5 11 1 0 0 0 0 6 11 2 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 8 14 1 0 0 0 0 8 16 2 0 0 0 0 9 18 2 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 28 1 0 0 0 0 12 29 3 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 15 17 2 0 0 0 0 15 20 1 0 0 0 0 17 30 1 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 29 1 0 0 0 0 24 26 1 0 0 0 0 24 34 1 0 0 0 0 25 27 2 0 0 0 0 25 35 1 0 0 0 0 26 28 2 0 0 0 0 26 36 1 0 0 0 0 27 28 1 0 0 0 0 27 37 1 0 0 0 0 M CHG 2 5 -1 11 1 M END $$$$