BP85UX -OEChem-04022106153D 33 35 0 0 0 0 0 0 0999 V2000 1.6510 0.1993 -1.4557 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 -0.8264 0.4245 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5294 -1.9391 -0.1241 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8459 -1.7576 -0.3169 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -0.6667 0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2495 -0.5270 0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0948 0.0484 0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1484 -0.0838 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5747 0.0237 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6063 0.1493 -0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8103 1.3129 0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6267 -0.7304 -0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1887 -0.1676 1.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3871 0.6836 -1.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0977 1.8479 0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9142 -0.1952 -0.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5516 0.0499 1.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 0.9010 -0.9746 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1497 1.0939 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3322 0.5841 0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3711 0.0028 1.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7169 -1.6551 1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 1.0222 1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0187 1.9324 0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4684 -1.7373 -0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6205 -0.5851 1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9567 0.9384 -2.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2817 2.8516 0.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7336 -0.7821 -0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0056 -0.1967 2.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 1.3170 -1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1521 1.5104 -0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3934 0.7534 0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 5 8 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 24 1 0 0 0 0 12 16 2 0 0 0 0 12 25 1 0 0 0 0 13 17 1 0 0 0 0 13 26 1 0 0 0 0 14 18 2 0 0 0 0 14 27 1 0 0 0 0 15 19 2 0 0 0 0 15 28 1 0 0 0 0 16 19 1 0 0 0 0 16 29 1 0 0 0 0 17 20 2 0 0 0 0 17 30 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M END $$$$