B9F4XQ -OEChem-04022101413D 34 36 0 0 0 0 0 0 0999 V2000 0.5779 2.2487 -0.5634 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6804 -2.8052 -0.1273 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0779 -4.0497 0.6949 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4276 -2.5061 -1.2543 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0832 -2.9403 -0.5979 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2392 2.3689 -0.5358 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5028 0.4851 0.3203 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7797 -0.0979 0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4363 -1.4281 1.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1532 0.8218 0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1222 0.3683 0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 0.7343 0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1402 1.6424 -0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3687 -0.1992 0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3257 1.1727 1.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 0.2121 -1.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3803 0.5662 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7179 1.0887 1.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6505 0.1279 -1.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3697 1.7134 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8691 0.4760 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0526 -1.6221 1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6023 -1.4588 1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4953 -1.1803 1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8248 1.5816 2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -0.1268 -1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2757 1.4347 1.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1553 -0.2780 -1.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2949 2.2419 -0.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1075 -4.9456 0.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4959 -3.1029 -2.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2994 1.3958 -0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2113 -0.3705 -0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2597 0.3248 1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 9 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 6 13 2 0 0 0 0 6 20 1 0 0 0 0 7 14 1 0 0 0 0 7 20 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 14 24 1 0 0 0 0 15 18 1 0 0 0 0 15 25 1 0 0 0 0 16 19 2 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 M END $$$$