BXIF42 -OEChem-04042107473D 35 37 0 0 0 0 0 0 0999 V2000 -2.6429 2.9613 -1.1894 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -2.6370 -0.5369 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9479 -0.4432 -0.3649 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3314 1.0303 0.2406 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9089 0.1899 -0.5197 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1556 -0.6104 -1.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8656 0.8377 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4143 -0.3078 -0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 1.1248 1.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9612 -1.4465 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5536 1.3355 0.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4203 -1.0303 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4381 -1.7405 0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2402 0.2871 -0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5994 -0.9181 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1446 1.3391 -0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9255 -1.0839 0.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4544 1.1519 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8410 -0.0400 0.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0716 0.0795 -2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 -1.6242 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 0.8299 1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6844 1.6213 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5457 -1.0744 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2799 -0.3642 -1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0866 2.1323 1.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2454 0.4184 1.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5085 2.3489 1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4242 1.3069 0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7252 0.6332 1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3905 0.9092 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -2.7429 0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2404 -2.0077 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1947 1.9400 -0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8652 -0.1624 1.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 10 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 31 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 M END $$$$