BTO4V3 -OEChem-04022108443D 27 28 0 1 0 0 0 0 0999 V2000 -4.5319 1.4398 -0.3131 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7263 -0.0505 0.9411 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1433 2.3290 0.4949 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5631 -2.4529 0.4372 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4506 -0.4170 0.1624 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8188 -0.5650 0.0801 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8509 -0.9975 0.3125 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4850 -1.3739 -1.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9552 -1.2327 -0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9854 -0.0472 0.2460 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1363 1.2884 -0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5993 -1.2362 0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5768 0.9481 -0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7453 1.5769 -0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 0.7907 -0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7988 -1.8749 0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2039 -0.6742 -1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -2.3781 -1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3011 -2.1318 -0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5776 -1.1034 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7790 -0.1549 0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3169 1.4774 -1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0815 1.3231 -1.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3307 1.5330 -0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6594 -1.1337 0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7891 2.6459 -0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2478 3.1664 0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 27 1 0 0 0 0 4 12 2 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 M END $$$$