B1INP4 -OEChem-04012116192D 37 39 0 1 0 0 0 0 0999 V2000 2.0000 2.1307 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 0.3988 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.4945 3.1012 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 -0.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 1.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 2.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 2.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 0.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0538 1.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6553 1.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9063 -1.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -0.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 -1.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6383 1.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9063 -2.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4443 0.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 -2.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 2.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5348 0.8856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9334 3.3082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -3.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4443 1.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 19 1 0 0 0 0 3 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 18 1 0 0 0 0 9 19 2 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 12 16 2 0 0 0 0 12 28 1 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 20 2 0 0 0 0 14 30 1 0 0 0 0 15 21 2 0 0 0 0 15 31 1 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 17 21 1 0 0 0 0 17 33 1 0 0 0 0 18 22 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 M END $$$$