B2PXF6 -OEChem-04022103573D 40 42 0 1 0 0 0 0 0999 V2000 -0.9040 0.9566 -0.4568 S 0 0 1 0 0 0 0 0 0 0 0 0 -4.5744 0.8631 1.3147 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0814 2.4077 -0.1799 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6313 0.4506 0.4452 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9639 -0.9935 0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7923 1.3998 0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0137 0.0342 0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -1.7211 1.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7729 -1.6160 -0.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2502 2.2702 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3944 1.3952 -1.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4486 0.1884 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5918 -3.6937 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7829 -3.0711 1.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0869 -2.9660 -1.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3103 3.1360 0.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4546 2.2609 -1.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9124 3.1314 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0364 -0.1497 -0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9282 -5.1371 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4293 0.1495 -1.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8531 0.7046 0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3656 0.6065 1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 0.3729 1.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7623 -1.0301 0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6247 -1.2488 2.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3986 -1.0811 -1.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7918 2.2868 2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0511 0.7383 -1.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1745 -3.6277 2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9357 -3.4395 -2.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 3.8139 1.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9217 2.2597 -2.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7373 3.8060 -0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4993 -0.5936 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0571 -5.7556 0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2425 -5.3539 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7555 -5.4282 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0872 -0.0339 -1.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8525 1.0243 0.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 2 12 1 0 0 0 0 2 22 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 14 1 0 0 0 0 8 26 1 0 0 0 0 9 15 2 0 0 0 0 9 27 1 0 0 0 0 10 16 1 0 0 0 0 10 28 1 0 0 0 0 11 17 2 0 0 0 0 11 29 1 0 0 0 0 12 19 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$